CID 475610

258849-85-3

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CC1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)N1CC=C(C)C
InChI
InChI=1S/C15H17ClN2O2/c1-9(2)6-7-18-10(3)14(19)17-13-5-4-11(16)8-12(13)15(18)20/h4-6,8,10H,7H2,1-3H3,(H,17,19)
InChIKey
FHYISSULXVENEV-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-4-(3-methylbut-2-enyl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.09787 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 161.6
[M+Na]+ 315.08709 170.7
[M-H]- 291.09059 163.5
[M+NH4]+ 310.13169 175.8
[M+K]+ 331.06103 169.2
[M+H-H2O]+ 275.09513 154.8
[M+HCOO]- 337.09607 172.6
[M+CH3COO]- 351.11172 202.4
[M+Na-2H]- 313.07254 162.6
[M]+ 292.09732 159.7
[M]- 292.09842 159.7
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.