CID 3075526

184691-68-7

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CN1C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC)C4=C1C(=O)NCC4
InChI
InChI=1S/C23H25N3O4/c1-26-18-6-5-15(13-17(18)16-9-11-25-23(28)21(16)26)22(27)24-10-8-14-4-7-19(29-2)20(12-14)30-3/h4-7,12-13H,8-11H2,1-3H3,(H,24,27)(H,25,28)
InChIKey
HPQAOLQUUOBWPF-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-9-methyl-1-oxo-3,4-dihydro-2H-pyrido[3,4-b]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1845 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 198.3
[M+Na]+ 430.17372 205.9
[M-H]- 406.17722 203.2
[M+NH4]+ 425.21832 209.3
[M+K]+ 446.14766 200.1
[M+H-H2O]+ 390.18176 188.7
[M+HCOO]- 452.18270 215.0
[M+CH3COO]- 466.19835 227.0
[M+Na-2H]- 428.15917 198.9
[M]+ 407.18395 201.7
[M]- 407.18505 201.7
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.