CID 46911068

125404-04-8

Structural Information

Molecular Formula
C12H11N3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=NC=C2)N
InChI
InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
InChIKey
LNUXNUNUGIHCPA-VOTSOKGWSA-N
Compound name
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

197.09529 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.102566 143.3
[M+Na]+ 220.084508 151.4
[M-H]- 196.088014 146.8
[M+NH4]+ 215.129113 159.2
[M+K]+ 236.058448 146.4
[M+H-H2O]+ 180.092550 134.5
[M+HCOO]- 242.093491 166.3
[M+CH3COO]- 256.109141 155.6
[M+Na-2H]- 218.069956 151.4
[M]+ 197.09474142 140.6
[M]- 197.09583858 140.6
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.