CID 5745836

Gpa 763

Structural Information

Molecular Formula
C24H25N3O4
SMILES
CC1=NC(=CC2=C1NC3=CC=CC=C32)CNC(=O)CC4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C24H25N3O4/c1-14-23-18(17-7-5-6-8-19(17)27-23)12-16(26-14)13-25-22(28)11-15-9-20(29-2)24(31-4)21(10-15)30-3/h5-10,12,27H,11,13H2,1-4H3,(H,25,28)
InChIKey
ZFNSQRZSVCOOPB-UHFFFAOYSA-N
Compound name
N-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1845 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19178 203.6
[M+Na]+ 442.17372 217.9
[M+NH4]+ 437.21832 209.6
[M+K]+ 458.14766 212.1
[M-H]- 418.17722 207.1
[M+Na-2H]- 440.15917 208.8
[M]+ 419.18395 206.6
[M]- 419.18505 206.6
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.