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]+ 408.191776 198.3
[M+Na]+ 430.173718 205.9
[M-H]- 406.177224 203.2
[M+NH4]+ 425.218323 209.3
[M+K]+ 446.147658 200.1
[M+H-H2O]+ 390.181760 188.7
[M+HCOO]- 452.182701 215.0
[M+CH3COO]- 466.198351 227.0
[M+Na-2H]- 428.159166 198.9
[M]+ 407.18395142 201.7
[M]- 407.18504858 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.