CID 5279150

Schembl643974

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
CC(C)C(=O)NC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H18ClN3O2/c1-11(2)18(24)23-17-19(25)21-15-9-8-13(20)10-14(15)16(22-17)12-6-4-3-5-7-12/h3-11,17H,1-2H3,(H,21,25)(H,23,24)
InChIKey
LCVSCIICCWBVBX-UHFFFAOYSA-N
Compound name
N-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

355.10876 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 181.3
[M+Na]+ 378.09798 188.9
[M-H]- 354.10148 186.1
[M+NH4]+ 373.14258 192.1
[M+K]+ 394.07192 187.6
[M+H-H2O]+ 338.10602 172.6
[M+HCOO]- 400.10696 193.6
[M+CH3COO]- 414.12261 190.4
[M+Na-2H]- 376.08343 183.5
[M]+ 355.10821 179.1
[M]- 355.10931 179.1
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

patents stripe