CID 289472

7-chloro-2,4-dimethyl-1h-1,5-benzodiazepine

Structural Information

Molecular Formula
C11H11ClN2
SMILES
CC1=CC(=NC2=C(N1)C=C(C=C2)Cl)C
InChI
InChI=1S/C11H11ClN2/c1-7-5-8(2)14-11-6-9(12)3-4-10(11)13-7/h3-6,14H,1-2H3
InChIKey
OIUIWJDOKIPVBA-UHFFFAOYSA-N
Compound name
8-chloro-2,4-dimethyl-1H-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06836 139.2
[M+Na]+ 229.05030 149.7
[M-H]- 205.05380 141.3
[M+NH4]+ 224.09490 156.6
[M+K]+ 245.02424 148.4
[M+H-H2O]+ 189.05834 132.7
[M+HCOO]- 251.05928 154.1
[M+CH3COO]- 265.07493 151.8
[M+Na-2H]- 227.03575 146.4
[M]+ 206.06053 137.8
[M]- 206.06163 137.8
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.