CID 5886965

Tg4-155

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CC1=CC2=CC=CC=C2N1CCNC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H26N2O4/c1-16-13-18-7-5-6-8-19(18)25(16)12-11-24-22(26)10-9-17-14-20(27-2)23(29-4)21(15-17)28-3/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)/b10-9+
InChIKey
YBHUXHFZLMFETJ-MDZDMXLPSA-N
Compound name
(E)-N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

20
Patents

394.18927 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.196546 196.7
[M+Na]+ 417.178488 204.9
[M-H]- 393.181994 203.6
[M+NH4]+ 412.223093 209.6
[M+K]+ 433.152428 200.2
[M+H-H2O]+ 377.186530 187.4
[M+HCOO]- 439.187471 219.7
[M+CH3COO]- 453.203121 225.8
[M+Na-2H]- 415.163936 197.3
[M]+ 394.18872142 205.0
[M]- 394.18981858 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe