CID 453272

133626-66-1

Structural Information

Molecular Formula
C22H21N3O
SMILES
CCN1C2=CC=CC(=C2N(C(=O)C3=C1N=CC=C3)CC4=CC=CC=C4)C
InChI
InChI=1S/C22H21N3O/c1-3-24-19-13-7-9-16(2)20(19)25(15-17-10-5-4-6-11-17)22(26)18-12-8-14-23-21(18)24/h4-14H,3,15H2,1-2H3
InChIKey
NVUGXFSBZUEHKT-UHFFFAOYSA-N
Compound name
6-benzyl-11-ethyl-7-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.16846 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17574 186.8
[M+Na]+ 366.15768 195.8
[M-H]- 342.16118 192.5
[M+NH4]+ 361.20228 197.7
[M+K]+ 382.13162 192.6
[M+H-H2O]+ 326.16572 176.3
[M+HCOO]- 388.16666 202.3
[M+CH3COO]- 402.18231 196.1
[M+Na-2H]- 364.14313 191.2
[M]+ 343.16791 185.5
[M]- 343.16901 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.