CID 291064

2,3-dihydro-2,2,4-trimethyl-1h-1,5-benzodiazepine

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=NC2=CC=CC=C2NC(C1)(C)C
InChI
InChI=1S/C12H16N2/c1-9-8-12(2,3)14-11-7-5-4-6-10(11)13-9/h4-7,14H,8H2,1-3H3
InChIKey
NOADPUWXDUIENJ-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-1,3-dihydro-1,5-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

188.13135 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 139.7
[M+Na]+ 211.12057 147.5
[M-H]- 187.12407 141.8
[M+NH4]+ 206.16517 158.4
[M+K]+ 227.09451 147.2
[M+H-H2O]+ 171.12861 133.1
[M+HCOO]- 233.12955 157.2
[M+CH3COO]- 247.14520 151.7
[M+Na-2H]- 209.10602 147.3
[M]+ 188.13080 135.3
[M]- 188.13190 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe