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]+ 307.122326 170.3
[M+Na]+ 329.104268 178.8
[M-H]- 305.107774 174.4
[M+NH4]+ 324.148873 182.4
[M+K]+ 345.078208 173.1
[M+H-H2O]+ 289.112310 161.5
[M+HCOO]- 351.113251 187.4
[M+CH3COO]- 365.128901 207.0
[M+Na-2H]- 327.089716 174.3
[M]+ 306.11450142 172.0
[M]- 306.11559858 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.