CID 23241542

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

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1CCN(C2=CC=CC=C2N1)C
InChI
InChI=1S/C11H16N2/c1-9-7-8-13(2)11-6-4-3-5-10(11)12-9/h3-6,9,12H,7-8H2,1-2H3
InChIKey
AGABNIRAYIUGKB-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.13135 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 137.1
[M+Na]+ 199.12057 148.3
[M+NH4]+ 194.16517 145.3
[M+K]+ 215.09451 143.0
[M-H]- 175.12407 138.8
[M+Na-2H]- 197.10602 143.0
[M]+ 176.13080 139.2
[M]- 176.13190 139.2
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.