CID 134817296

N2-[2-(methylsulfonyl)phenyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C11H12N4O2S
SMILES
CS(=O)(=O)C1=CC=CC=C1NC2=NC=CC(=N2)N
InChI
InChI=1S/C11H12N4O2S/c1-18(16,17)9-5-3-2-4-8(9)14-11-13-7-6-10(12)15-11/h2-7H,1H3,(H3,12,13,14,15)
InChIKey
ALOZSGHCNGPDMN-UHFFFAOYSA-N
Compound name
2-N-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07536 156.1
[M+Na]+ 287.05730 168.2
[M+NH4]+ 282.10190 162.7
[M+K]+ 303.03124 161.3
[M-H]- 263.06080 159.1
[M+Na-2H]- 285.04275 164.2
[M]+ 264.06753 159.0
[M]- 264.06863 159.0
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.