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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	293.105146	161.6
[M+Na]+	315.087088	170.7
[M-H]-	291.090594	163.5
[M+NH4]+	310.131693	175.8
[M+K]+	331.061028	169.2
[M+H-H2O]+	275.095130	154.8
[M+HCOO]-	337.096071	172.6
[M+CH3COO]-	351.111721	202.4
[M+Na-2H]-	313.072536	162.6
[M]+	292.09732142	159.7
[M]-	292.09841858	159.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.