CID 390415

Nsc687769

Structural Information

Molecular Formula
C20H17N7O4S
SMILES
C1=CC=NC(=C1)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=N4
InChI
InChI=1S/C20H17N7O4S/c28-19(12-23-17-5-1-3-9-21-17)25-27-13-24-16-8-7-14(11-15(16)20(27)29)32(30,31)26-18-6-2-4-10-22-18/h1-11,13H,12H2,(H,21,23)(H,22,26)(H,25,28)
InChIKey
IZZTWPHOAWZWRR-UHFFFAOYSA-N
Compound name
N-[4-oxo-6-(pyridin-2-ylsulfamoyl)quinazolin-3-yl]-2-(pyridin-2-ylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

451.10626 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.11354 199.3
[M+Na]+ 474.09548 206.3
[M-H]- 450.09898 204.8
[M+NH4]+ 469.14008 202.2
[M+K]+ 490.06942 199.2
[M+H-H2O]+ 434.10352 187.7
[M+HCOO]- 496.10446 214.0
[M+CH3COO]- 510.12011 206.4
[M+Na-2H]- 472.08093 209.4
[M]+ 451.10571 201.1
[M]- 451.10681 201.1
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