CID 3071172

87474-36-0

Structural Information

Molecular Formula
C22H22N4O
SMILES
C1C(NC2=C(NC1C3=CC=CC=C3)N=CC=C2)CNC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H22N4O/c27-22(17-10-5-2-6-11-17)24-15-18-14-20(16-8-3-1-4-9-16)26-21-19(25-18)12-7-13-23-21/h1-13,18,20,25H,14-15H2,(H,23,26)(H,24,27)
InChIKey
XJAGCMDWTWIOBB-UHFFFAOYSA-N
Compound name
N-[(4-phenyl-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepin-2-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.17935 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18663 190.4
[M+Na]+ 381.16857 202.1
[M+NH4]+ 376.21317 196.3
[M+K]+ 397.14251 195.2
[M-H]- 357.17207 194.9
[M+Na-2H]- 379.15402 198.3
[M]+ 358.17880 193.2
[M]- 358.17990 193.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.