PubChemLite - 607385-41-1 (C24H25N5O2)

Structural Information

Molecular Formula

SMILES

CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3C(C)C)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H25N5O2/c1-15(2)29-20(25)18(23(30)26-12-11-17-9-5-4-6-10-17)14-19-22(29)27-21-16(3)8-7-13-28(21)24(19)31/h4-10,13-15,25H,11-12H2,1-3H3,(H,26,30)

InChIKey

JSKRSYBRLUZRMB-UHFFFAOYSA-N

Compound name

6-imino-11-methyl-2-oxo-N-(2-phenylethyl)-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

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]+	416.20812	203.9
[M+Na]+	438.19006	213.0
[M-H]-	414.19356	209.0
[M+NH4]+	433.23466	211.6
[M+K]+	454.16400	205.5
[M+H-H2O]+	398.19810	192.0
[M+HCOO]-	460.19904	221.9
[M+CH3COO]-	474.21469	212.2
[M+Na-2H]-	436.17551	208.5
[M]+	415.20029	206.9
[M]-	415.20139	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.20812

203.9

[M+Na]+

438.19006

213.0

[M-H]-

414.19356

209.0

[M+NH4]+

433.23466

211.6

[M+K]+

454.16400

205.5

[M+H-H2O]+

398.19810

192.0

[M+HCOO]-

460.19904

221.9

[M+CH3COO]-

474.21469

212.2

[M+Na-2H]-

436.17551

208.5

[M]+

415.20029

206.9

[M]-

415.20139

206.9

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

607385-41-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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