CID 6435629

Stilbenemide

Structural Information

Molecular Formula
C14H15N3
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C2=NC=NC=C2
InChI
InChI=1S/C14H15N3/c1-17(2)14-7-4-12(5-8-14)3-6-13-9-10-15-11-16-13/h3-11H,1-2H3/b6-3+
InChIKey
OFCUZVXGFQJLHM-ZZXKWVIFSA-N
Compound name
N,N-dimethyl-4-[(E)-2-pyrimidin-4-ylethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.1266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13388 151.8
[M+Na]+ 248.11582 159.1
[M-H]- 224.11932 157.0
[M+NH4]+ 243.16042 167.4
[M+K]+ 264.08976 155.4
[M+H-H2O]+ 208.12386 142.3
[M+HCOO]- 270.12480 175.3
[M+CH3COO]- 284.14045 195.3
[M+Na-2H]- 246.10127 159.1
[M]+ 225.12605 152.0
[M]- 225.12715 152.0
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.