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

0
Patents

358.16812 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17540 188.3
[M+Na]+ 381.15734 193.0
[M-H]- 357.16084 197.1
[M+NH4]+ 376.20194 199.4
[M+K]+ 397.13128 187.4
[M+H-H2O]+ 341.16538 178.2
[M+HCOO]- 403.16632 210.9
[M+CH3COO]- 417.18197 221.5
[M+Na-2H]- 379.14279 189.2
[M]+ 358.16757 186.6
[M]- 358.16867 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.