CID 3243271

Savirin

Structural Information

Molecular Formula
C18H16N4O3S
SMILES
CC(C)C1=CC=C(C=C1)S(=O)(=O)C2=NNN3C2=NC(=O)C4=CC=CC=C43
InChI
InChI=1S/C18H16N4O3S/c1-11(2)12-7-9-13(10-8-12)26(24,25)18-16-19-17(23)14-5-3-4-6-15(14)22(16)21-20-18/h3-11,21H,1-2H3
InChIKey
GIFXGSITUBUVGH-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)sulfonyl-1H-triazolo[1,5-a]quinazolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

32
Patents

368.0943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10158 183.5
[M+Na]+ 391.08352 198.9
[M+NH4]+ 386.12812 189.5
[M+K]+ 407.05746 192.7
[M-H]- 367.08702 184.9
[M+Na-2H]- 389.06897 190.0
[M]+ 368.09375 186.6
[M]- 368.09485 186.6
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