CID 5279101

Schembl644129

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CCC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O2/c1-2-15(22)20-17-18(23)19-14-11-7-6-10-13(14)16(21-17)12-8-4-3-5-9-12/h3-11,17H,2H2,1H3,(H,19,23)(H,20,22)
InChIKey
MYCKGOFPRXKZTN-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

307.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 172.3
[M+Na]+ 330.12130 178.3
[M-H]- 306.12480 177.2
[M+NH4]+ 325.16590 183.7
[M+K]+ 346.09524 177.6
[M+H-H2O]+ 290.12934 163.5
[M+HCOO]- 352.13028 190.0
[M+CH3COO]- 366.14593 181.7
[M+Na-2H]- 328.10675 176.9
[M]+ 307.13153 167.7
[M]- 307.13263 167.7
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.