CID 475620

258849-95-5

Structural Information

Molecular Formula
C14H18ClN3O2
SMILES
C[C@H]1C(=O)NC2=C(CN1C(=O)NC(C)C)C=C(C=C2)Cl
InChI
InChI=1S/C14H18ClN3O2/c1-8(2)16-14(20)18-7-10-6-11(15)4-5-12(10)17-13(19)9(18)3/h4-6,8-9H,7H2,1-3H3,(H,16,20)(H,17,19)/t9-/m0/s1
InChIKey
ZZAWLPNEWRAXCI-VIFPVBQESA-N
Compound name
(3S)-7-chloro-3-methyl-2-oxo-N-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.10876 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11604 163.7
[M+Na]+ 318.09798 171.1
[M-H]- 294.10148 165.5
[M+NH4]+ 313.14258 177.3
[M+K]+ 334.07192 171.2
[M+H-H2O]+ 278.10602 156.4
[M+HCOO]- 340.10696 174.9
[M+CH3COO]- 354.12261 204.1
[M+Na-2H]- 316.08343 165.1
[M]+ 295.10821 160.5
[M]- 295.10931 160.5
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.