CID 86572703

4-amino-2-methylsulfonyl-6-[(z)-styryl]pyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C14H12N4O2S
SMILES
CS(=O)(=O)C1=NC(=C(C(=N1)N)C#N)/C=C\C2=CC=CC=C2
InChI
InChI=1S/C14H12N4O2S/c1-21(19,20)14-17-12(11(9-15)13(16)18-14)8-7-10-5-3-2-4-6-10/h2-8H,1H3,(H2,16,17,18)/b8-7-
InChIKey
FTPZXDOFMKZYTI-FPLPWBNLSA-N
Compound name
4-amino-2-methylsulfonyl-6-[(Z)-2-phenylethenyl]pyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07536 177.4
[M+Na]+ 323.05730 188.4
[M-H]- 299.06080 180.4
[M+NH4]+ 318.10190 188.3
[M+K]+ 339.03124 182.4
[M+H-H2O]+ 283.06534 162.3
[M+HCOO]- 345.06628 189.9
[M+CH3COO]- 359.08193 211.7
[M+Na-2H]- 321.04275 179.2
[M]+ 300.06753 173.2
[M]- 300.06863 173.2
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.