CID 291064

24107-34-4

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 138.1
[M+Na]+ 211.12057 150.2
[M+NH4]+ 206.16517 147.6
[M+K]+ 227.09451 143.0
[M-H]- 187.12407 139.9
[M+Na-2H]- 209.10602 146.2
[M]+ 188.13080 140.6
[M]- 188.13190 140.6
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