CID 131752933

Aegle marmelos alkaloid c

Structural Information

Molecular Formula
C23H27NO3
SMILES
CC(=CCOC1=CC=C(C=C1)C(CNC(=O)/C=C\C2=CC=CC=C2)OC)C
InChI
InChI=1S/C23H27NO3/c1-18(2)15-16-27-21-12-10-20(11-13-21)22(26-3)17-24-23(25)14-9-19-7-5-4-6-8-19/h4-15,22H,16-17H2,1-3H3,(H,24,25)/b14-9-
InChIKey
MLCNANOYWKNAAF-ZROIWOOFSA-N
Compound name
(Z)-N-[2-methoxy-2-[4-(3-methylbut-2-enoxy)phenyl]ethyl]-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 192.7
[M+Na]+ 388.18832 195.3
[M-H]- 364.19182 197.9
[M+NH4]+ 383.23292 204.1
[M+K]+ 404.16226 190.8
[M+H-H2O]+ 348.19636 183.3
[M+HCOO]- 410.19730 213.2
[M+CH3COO]- 424.21295 219.2
[M+Na-2H]- 386.17377 191.9
[M]+ 365.19855 194.5
[M]- 365.19965 194.5
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.