CID 475613

258849-88-6

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
C[C@H]1C(=O)NC2=C(CN1CC3CC3)C=C(C=C2)Cl
InChI
InChI=1S/C14H17ClN2O/c1-9-14(18)16-13-5-4-12(15)6-11(13)8-17(9)7-10-2-3-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,16,18)/t9-/m0/s1
InChIKey
YNBRKNNMOAHXMY-VIFPVBQESA-N
Compound name
(3S)-7-chloro-4-(cyclopropylmethyl)-3-methyl-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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 156.6
[M+Na]+ 287.09216 165.9
[M-H]- 263.09566 161.1
[M+NH4]+ 282.13676 166.8
[M+K]+ 303.06610 163.3
[M+H-H2O]+ 247.10020 148.7
[M+HCOO]- 309.10114 168.6
[M+CH3COO]- 323.11679 166.7
[M+Na-2H]- 285.07761 159.5
[M]+ 264.10239 155.2
[M]- 264.10349 155.2
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.