PubChemLite - 776316-48-4 (C38H34NO4P)

Structural Information

Molecular Formula

SMILES

C[C@@H](C1=CC=CC=C1OC)N([C@@H](C)C2=CC=CC=C2OC)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76

InChI

InChI=1S/C38H34NO4P/c1-25(29-15-9-11-19-33(29)40-3)39(26(2)30-16-10-12-20-34(30)41-4)44-42-35-23-21-27-13-5-7-17-31(27)37(35)38-32-18-8-6-14-28(32)22-24-36(38)43-44/h5-26H,1-4H3/t25-,26-/m0/s1

InChIKey

SCPIPBUVJMWXLH-UIOOFZCWSA-N

Compound name

N,N-bis[(1S)-1-(2-methoxyphenyl)ethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine

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]+	600.22981	257.7
[M+Na]+	622.21175	275.3
[M+NH4]+	617.25635	265.1
[M+K]+	638.18569	264.5
[M-H]-	598.21525	269.6
[M+Na-2H]-	620.19720	264.8
[M]+	599.22198	264.3
[M]-	599.22308	264.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

600.22981

257.7

[M+Na]+

622.21175

275.3

[M+NH4]+

617.25635

265.1

[M+K]+

638.18569

264.5

[M-H]-

598.21525

269.6

[M+Na-2H]-

620.19720

264.8

[M]+

599.22198

264.3

[M]-

599.22308

264.3

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

776316-48-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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