CID 262709

2,2,4-trimethyl-2,5-dihydro-1h-1,5-benzodiazepine

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=CC(NC2=CC=CC=C2N1)(C)C
InChI
InChI=1S/C12H16N2/c1-9-8-12(2,3)14-11-7-5-4-6-10(11)13-9/h4-8,13-14H,1-3H3
InChIKey
WTUNMSITZSIXDG-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1,5-dihydro-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13135 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 140.8
[M+Na]+ 211.12057 148.2
[M-H]- 187.12407 141.7
[M+NH4]+ 206.16517 158.9
[M+K]+ 227.09451 147.2
[M+H-H2O]+ 171.12861 134.4
[M+HCOO]- 233.12955 156.9
[M+CH3COO]- 247.14520 152.1
[M+Na-2H]- 209.10602 148.0
[M]+ 188.13080 134.7
[M]- 188.13190 134.7
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.