CID 475603

258849-78-4

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
CC(=CCN1CC2=C(C=CC(=C2)Cl)NC(=O)C1)C
InChI
InChI=1S/C14H17ClN2O/c1-10(2)5-6-17-8-11-7-12(15)3-4-13(11)16-14(18)9-17/h3-5,7H,6,8-9H2,1-2H3,(H,16,18)
InChIKey
HJEYQFSJRGIWDZ-UHFFFAOYSA-N
Compound name
7-chloro-4-(3-methylbut-2-enyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.10294 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 155.9
[M+Na]+ 287.09216 163.5
[M-H]- 263.09566 157.1
[M+NH4]+ 282.13676 170.7
[M+K]+ 303.06610 161.8
[M+H-H2O]+ 247.10020 148.8
[M+HCOO]- 309.10114 166.8
[M+CH3COO]- 323.11679 196.0
[M+Na-2H]- 285.07761 158.6
[M]+ 264.10239 152.2
[M]- 264.10349 152.2
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

No patent data available for this compound.