CID 504352

N-[4-(4-aminophenyl)sulfonylphenyl]pyrimidin-2-amine

Structural Information

Molecular Formula
C16H14N4O2S
SMILES
C1=CN=C(N=C1)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H14N4O2S/c17-12-2-6-14(7-3-12)23(21,22)15-8-4-13(5-9-15)20-16-18-10-1-11-19-16/h1-11H,17H2,(H,18,19,20)
InChIKey
SBDBPKRPYLDTAO-UHFFFAOYSA-N
Compound name
N-[4-(4-aminophenyl)sulfonylphenyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.08374 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.09102 173.0
[M+Na]+ 349.07296 181.3
[M-H]- 325.07646 180.1
[M+NH4]+ 344.11756 183.5
[M+K]+ 365.04690 174.5
[M+H-H2O]+ 309.08100 163.2
[M+HCOO]- 371.08194 190.9
[M+CH3COO]- 385.09759 183.3
[M+Na-2H]- 347.05841 179.7
[M]+ 326.08319 172.5
[M]- 326.08429 172.5
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.