CID 63712

Chi 27

Structural Information

Molecular Formula
C14H14N4OS
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=NN=C(S3)C(C)C
InChI
InChI=1S/C14H14N4OS/c1-8(2)12-16-17-14(20-12)18-9(3)15-11-7-5-4-6-10(11)13(18)19/h4-8H,1-3H3
InChIKey
AHANTWCGGYIFSQ-UHFFFAOYSA-N
Compound name
2-methyl-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08884 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09612 164.1
[M+Na]+ 309.07806 180.2
[M+NH4]+ 304.12266 171.8
[M+K]+ 325.05200 172.9
[M-H]- 285.08156 166.8
[M+Na-2H]- 307.06351 171.6
[M]+ 286.08829 167.7
[M]- 286.08939 167.7
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.