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

6
Patents

197.09529 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 143.3
[M+Na]+ 220.08451 151.4
[M-H]- 196.08801 146.8
[M+NH4]+ 215.12911 159.2
[M+K]+ 236.05845 146.4
[M+H-H2O]+ 180.09255 134.5
[M+HCOO]- 242.09349 166.3
[M+CH3COO]- 256.10914 155.6
[M+Na-2H]- 218.06996 151.4
[M]+ 197.09474 140.6
[M]- 197.09584 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

literature stripe

Patent stripe

patents stripe