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 164.2
[M+Na]+ 309.07806 177.7
[M-H]- 285.08156 168.5
[M+NH4]+ 304.12266 178.9
[M+K]+ 325.05200 171.8
[M+H-H2O]+ 269.08610 155.9
[M+HCOO]- 331.08704 179.8
[M+CH3COO]- 345.10269 176.6
[M+Na-2H]- 307.06351 166.3
[M]+ 286.08829 170.5
[M]- 286.08939 170.5
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

patents stripe