CID 20896305

1-benzyl-3-methyl-2,3,4,5-tetrahydro-1h-1,5-benzodiazepin-2-one

Structural Information

Molecular Formula
C17H18N2O
SMILES
CC1CNC2=CC=CC=C2N(C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C17H18N2O/c1-13-11-18-15-9-5-6-10-16(15)19(17(13)20)12-14-7-3-2-4-8-14/h2-10,13,18H,11-12H2,1H3
InChIKey
PDTZUFWOJXGZOZ-UHFFFAOYSA-N
Compound name
5-benzyl-3-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 162.2
[M+Na]+ 289.13112 168.5
[M-H]- 265.13462 166.7
[M+NH4]+ 284.17572 175.6
[M+K]+ 305.10506 166.9
[M+H-H2O]+ 249.13916 154.0
[M+HCOO]- 311.14010 178.4
[M+CH3COO]- 325.15575 172.2
[M+Na-2H]- 287.11657 166.8
[M]+ 266.14135 156.5
[M]- 266.14245 156.5
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.