CID 37632

Adinazolam

Structural Information

Molecular Formula
C19H18ClN5
SMILES
CN(C)CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
InChI
InChI=1S/C19H18ClN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKey
GJSLOMWRLALDCT-UHFFFAOYSA-N
Compound name
1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

101
References

6663
Patents

351.12506 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.13234 182.1
[M+Na]+ 374.11428 196.6
[M+NH4]+ 369.15888 189.7
[M+K]+ 390.08822 190.6
[M-H]- 350.11778 186.2
[M+Na-2H]- 372.09973 189.7
[M]+ 351.12451 185.8
[M]- 351.12561 185.8
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