CID 49767580

(4-chlorophenyl)-(2-isopropylsulfanyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)methanone

Structural Information

Molecular Formula
C18H15ClN4OS
SMILES
CC(C)SC1=NN2C3=CC=CC=C3N=C2N1C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H15ClN4OS/c1-11(2)25-18-21-23-15-6-4-3-5-14(15)20-17(23)22(18)16(24)12-7-9-13(19)10-8-12/h3-11H,1-2H3
InChIKey
CVQAEOYGZSGYOY-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(2-propan-2-ylsulfanyl-[1,2,4]triazolo[1,5-a]benzimidazol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.06552 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07280 185.6
[M+Na]+ 393.05474 199.6
[M-H]- 369.05824 191.3
[M+NH4]+ 388.09934 200.4
[M+K]+ 409.02868 192.6
[M+H-H2O]+ 353.06278 177.9
[M+HCOO]- 415.06372 196.3
[M+CH3COO]- 429.07937 197.0
[M+Na-2H]- 391.04019 185.0
[M]+ 370.06497 195.8
[M]- 370.06607 195.8
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

No patent data available for this compound.