CID 516585

2,4-diamino-quinazoline-6-sulfonic acid methyl-phenyl-amide

Structural Information

Molecular Formula
C15H15N5O2S
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C15H15N5O2S/c1-20(10-5-3-2-4-6-10)23(21,22)11-7-8-13-12(9-11)14(16)19-15(17)18-13/h2-9H,1H3,(H4,16,17,18,19)
InChIKey
SGFWVPMENQKZGT-UHFFFAOYSA-N
Compound name
2,4-diamino-N-methyl-N-phenylquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10192 172.8
[M+Na]+ 352.08386 181.5
[M-H]- 328.08736 178.7
[M+NH4]+ 347.12846 184.7
[M+K]+ 368.05780 176.3
[M+H-H2O]+ 312.09190 163.8
[M+HCOO]- 374.09284 190.2
[M+CH3COO]- 388.10849 215.8
[M+Na-2H]- 350.06931 179.5
[M]+ 329.09409 173.6
[M]- 329.09519 173.6
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.