CID 516584

92144-29-1

Structural Information

Molecular Formula
C15H14ClN5O2S
SMILES
CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N
InChI
InChI=1S/C15H14ClN5O2S/c1-21(10-4-2-3-9(16)7-10)24(22,23)11-5-6-13-12(8-11)14(17)20-15(18)19-13/h2-8H,1H3,(H4,17,18,19,20)
InChIKey
ZVZFTAIMGWBWSN-UHFFFAOYSA-N
Compound name
2,4-diamino-N-(3-chlorophenyl)-N-methylquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.05566 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.06294 179.9
[M+Na]+ 386.04488 189.9
[M-H]- 362.04838 186.0
[M+NH4]+ 381.08948 191.6
[M+K]+ 402.01882 183.7
[M+H-H2O]+ 346.05292 171.8
[M+HCOO]- 408.05386 192.7
[M+CH3COO]- 422.06951 220.6
[M+Na-2H]- 384.03033 185.3
[M]+ 363.05511 183.3
[M]- 363.05621 183.3
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.