CID 390416

Nsc687770

Structural Information

Molecular Formula
C16H13N7O4S3
SMILES
C1=CC2=C(C=C1S(=O)(=O)NC3=NC=CS3)C(=O)N(C=N2)NC(=O)CNC4=NC=CS4
InChI
InChI=1S/C16H13N7O4S3/c24-13(8-19-15-17-3-5-28-15)21-23-9-20-12-2-1-10(7-11(12)14(23)25)30(26,27)22-16-18-4-6-29-16/h1-7,9H,8H2,(H,17,19)(H,18,22)(H,21,24)
InChIKey
TZLBEQSYWLOGRH-UHFFFAOYSA-N
Compound name
N-[4-oxo-6-(1,3-thiazol-2-ylsulfamoyl)quinazolin-3-yl]-2-(1,3-thiazol-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

463.0191 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.02638 197.8
[M+Na]+ 486.00832 208.4
[M-H]- 462.01182 204.3
[M+NH4]+ 481.05292 205.6
[M+K]+ 501.98226 200.5
[M+H-H2O]+ 446.01636 192.1
[M+HCOO]- 508.01730 207.2
[M+CH3COO]- 522.03295 206.1
[M+Na-2H]- 483.99377 204.1
[M]+ 463.01855 202.8
[M]- 463.01965 202.8
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