CID 6443800

Cinfenine

Structural Information

Molecular Formula
C25H27NO
SMILES
CN(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C25H27NO/c1-26(19-11-14-22-12-5-2-6-13-22)20-21-27-25(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-18,25H,19-21H2,1H3/b14-11+
InChIKey
QTKQVDXGCWKEHE-SDNWHVSQSA-N
Compound name
(E)-N-(2-benzhydryloxyethyl)-N-methyl-3-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

357.20926 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21654 191.0
[M+Na]+ 380.19848 193.2
[M-H]- 356.20198 200.0
[M+NH4]+ 375.24308 202.6
[M+K]+ 396.17242 187.8
[M+H-H2O]+ 340.20652 180.0
[M+HCOO]- 402.20746 213.6
[M+CH3COO]- 416.22311 220.3
[M+Na-2H]- 378.18393 193.8
[M]+ 357.20871 191.4
[M]- 357.20981 191.4
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.