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 202.6
[M+Na]+ 442.17372 211.3
[M-H]- 418.17722 208.1
[M+NH4]+ 437.21832 213.2
[M+K]+ 458.14766 205.7
[M+H-H2O]+ 402.18176 192.6
[M+HCOO]- 464.18270 221.5
[M+CH3COO]- 478.19835 229.8
[M+Na-2H]- 440.15917 204.5
[M]+ 419.18395 209.7
[M]- 419.18505 209.7
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.