CID 4370215

N1-(4-methyl-6-propyl-2-pyrimidinyl)sulfanilamide

Structural Information

Molecular Formula
C14H18N4O2S
SMILES
CCCC1=NC(=NC(=C1)C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H18N4O2S/c1-3-4-12-9-10(2)16-14(17-12)18-21(19,20)13-7-5-11(15)6-8-13/h5-9H,3-4,15H2,1-2H3,(H,16,17,18)
InChIKey
KUQMCYZWABMEDG-UHFFFAOYSA-N
Compound name
4-amino-N-(4-methyl-6-propylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.11505 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12233 170.3
[M+Na]+ 329.10427 178.8
[M-H]- 305.10777 174.4
[M+NH4]+ 324.14887 182.4
[M+K]+ 345.07821 173.1
[M+H-H2O]+ 289.11231 161.5
[M+HCOO]- 351.11325 187.4
[M+CH3COO]- 365.12890 207.0
[M+Na-2H]- 327.08972 174.3
[M]+ 306.11450 172.0
[M]- 306.11560 172.0
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.