CID 475618

258849-93-3

Structural Information

Molecular Formula
C12H14ClN3O2
SMILES
C[C@H]1C(=O)NC2=C(CN1CC(=O)N)C=C(C=C2)Cl
InChI
InChI=1S/C12H14ClN3O2/c1-7-12(18)15-10-3-2-9(13)4-8(10)5-16(7)6-11(14)17/h2-4,7H,5-6H2,1H3,(H2,14,17)(H,15,18)/t7-/m0/s1
InChIKey
ICOQLEJQWCOQLI-ZETCQYMHSA-N
Compound name
2-[(3S)-7-chloro-3-methyl-2-oxo-3,5-dihydro-1H-1,4-benzodiazepin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.07745 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.08473 155.8
[M+Na]+ 290.06667 164.1
[M-H]- 266.07017 157.3
[M+NH4]+ 285.11127 170.1
[M+K]+ 306.04061 163.8
[M+H-H2O]+ 250.07471 148.6
[M+HCOO]- 312.07565 168.0
[M+CH3COO]- 326.09130 198.3
[M+Na-2H]- 288.05212 158.2
[M]+ 267.07690 151.7
[M]- 267.07800 151.7
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.