PubChemLite - 4-(diphenyl[?]yl)morpholine (C27H23N7O)

Structural Information

Molecular Formula

SMILES

C1COCCN1C2C3=NN=C(N3C4=CC=CC=C4N5C2=NN=C5C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C27H23N7O/c1-3-9-19(10-4-1)24-28-30-26-23(32-15-17-35-18-16-32)27-31-29-25(20-11-5-2-6-12-20)34(27)22-14-8-7-13-21(22)33(24)26/h1-14,23H,15-18H2

InChIKey

CZANEZHCHNKTSU-UHFFFAOYSA-N

Compound name

4-(3,11-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,8,10,13,15-heptaen-7-yl)morpholine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	462.20368	211.9
[M+Na]+	484.18562	221.9
[M-H]-	460.18912	220.8
[M+NH4]+	479.23022	215.0
[M+K]+	500.15956	215.3
[M+H-H2O]+	444.19366	196.1
[M+HCOO]-	506.19460	221.5
[M+CH3COO]-	520.21025	218.2
[M+Na-2H]-	482.17107	211.4
[M]+	461.19585	209.3
[M]-	461.19695	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.20368

211.9

[M+Na]+

484.18562

221.9

[M-H]-

460.18912

220.8

[M+NH4]+

479.23022

215.0

[M+K]+

500.15956

215.3

[M+H-H2O]+

444.19366

196.1

[M+HCOO]-

506.19460

221.5

[M+CH3COO]-

520.21025

218.2

[M+Na-2H]-

482.17107

211.4

[M]+

461.19585

209.3

[M]-

461.19695

209.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4-(diphenyl[?]yl)morpholine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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