CID 3073964

6h-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepin-5-amine, 8-chloro-n,n-dimethyl-1,6-diphenyl-

Structural Information

Molecular Formula
C24H20ClN5
SMILES
CN(C)C1=CC2=NN=C(N2C3=C(N1C4=CC=CC=C4)C=C(C=C3)Cl)C5=CC=CC=C5
InChI
InChI=1S/C24H20ClN5/c1-28(2)23-16-22-26-27-24(17-9-5-3-6-10-17)30(22)20-14-13-18(25)15-21(20)29(23)19-11-7-4-8-12-19/h3-16H,1-2H3
InChIKey
LPVQFTNSKKTJHK-UHFFFAOYSA-N
Compound name
8-chloro-N,N-dimethyl-1,6-diphenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.14072 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.14800 202.5
[M+Na]+ 436.12994 219.0
[M+NH4]+ 431.17454 210.3
[M+K]+ 452.10388 211.4
[M-H]- 412.13344 209.1
[M+Na-2H]- 434.11539 211.8
[M]+ 413.14017 207.4
[M]- 413.14127 207.4
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.