CID 135408743

Nsc4367

Structural Information

Molecular Formula
C15H13N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CNC3=O
InChI
InChI=1S/C15H13N3O3S/c1-10-5-7-11(8-6-10)22(20,21)18-13-4-2-3-12-14(13)16-9-17-15(12)19/h2-9,18H,1H3,(H,16,17,19)
InChIKey
XNIUSFDNKLNLOF-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-oxo-3H-quinazolin-8-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.06775 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07503 169.5
[M+Na]+ 338.05697 179.5
[M-H]- 314.06047 173.8
[M+NH4]+ 333.10157 181.8
[M+K]+ 354.03091 172.8
[M+H-H2O]+ 298.06501 161.2
[M+HCOO]- 360.06595 184.6
[M+CH3COO]- 374.08160 202.5
[M+Na-2H]- 336.04242 176.7
[M]+ 315.06720 171.1
[M]- 315.06830 171.1
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

No patent data available for this compound.