CID 3073961

6h-(1,2,4)triazolo(4,3-a)(1,5)benzodiazepine, 8-chloro-5-(4-morpholinyl)-6-phenyl-

Structural Information

Molecular Formula
C20H18ClN5O
SMILES
C1COCCN1C2=CC3=NN=CN3C4=C(N2C5=CC=CC=C5)C=C(C=C4)Cl
InChI
InChI=1S/C20H18ClN5O/c21-15-6-7-17-18(12-15)26(16-4-2-1-3-5-16)20(24-8-10-27-11-9-24)13-19-23-22-14-25(17)19/h1-7,12-14H,8-11H2
InChIKey
QYASTOGXBCCVSC-UHFFFAOYSA-N
Compound name
4-(8-chloro-6-phenyl-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-5-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.12728 193.9
[M+Na]+ 402.10922 209.0
[M+NH4]+ 397.15382 200.9
[M+K]+ 418.08316 202.8
[M-H]- 378.11272 199.4
[M+Na-2H]- 400.09467 200.5
[M]+ 379.11945 198.0
[M]- 379.12055 198.0
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

No patent data available for this compound.