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]+ 267.149176 162.2
[M+Na]+ 289.131118 168.5
[M-H]- 265.134624 166.7
[M+NH4]+ 284.175723 175.6
[M+K]+ 305.105058 166.9
[M+H-H2O]+ 249.139160 154.0
[M+HCOO]- 311.140101 178.4
[M+CH3COO]- 325.155751 172.2
[M+Na-2H]- 287.116566 166.8
[M]+ 266.14135142 156.5
[M]- 266.14244858 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.