CID 398707

4-methyl-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine

Structural Information

Molecular Formula
C10H14N2
SMILES
CN1CCNC2=CC=CC=C2C1
InChI
InChI=1S/C10H14N2/c1-12-7-6-11-10-5-3-2-4-9(10)8-12/h2-5,11H,6-8H2,1H3
InChIKey
OWSHLTNJBYOWGQ-UHFFFAOYSA-N
Compound name
4-methyl-1,2,3,5-tetrahydro-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

162.11569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 132.9
[M+Na]+ 185.10491 144.0
[M+NH4]+ 180.14951 141.2
[M+K]+ 201.07885 138.7
[M-H]- 161.10841 134.5
[M+Na-2H]- 183.09036 139.3
[M]+ 162.11514 134.9
[M]- 162.11624 134.9
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

patents stripe