CID 107454

Mer-13

Structural Information

Molecular Formula
C23H22N2O2
SMILES
COC1=CC=C(C=C1)C(=CC2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H22N2O2/c1-26-20-11-7-17(8-12-20)22(18-9-13-21(27-2)14-10-18)15-16-3-5-19(6-4-16)23(24)25/h3-15H,1-2H3,(H3,24,25)
InChIKey
JIWRWYDDVDAXCS-UHFFFAOYSA-N
Compound name
4-[2,2-bis(4-methoxyphenyl)ethenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

358.16812 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.175396 188.3
[M+Na]+ 381.157338 193.0
[M-H]- 357.160844 197.1
[M+NH4]+ 376.201943 199.4
[M+K]+ 397.131278 187.4
[M+H-H2O]+ 341.165380 178.2
[M+HCOO]- 403.166321 210.9
[M+CH3COO]- 417.181971 221.5
[M+Na-2H]- 379.142786 189.2
[M]+ 358.16757142 186.6
[M]- 358.16866858 186.6
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.