CID 5745835

Gpa 690

Structural Information

Molecular Formula
C23H25N3O3
SMILES
CC1=NC(=CC2=C1NC3=CC=CC=C32)CNCC4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C23H25N3O3/c1-14-22-18(17-7-5-6-8-19(17)26-22)11-16(25-14)13-24-12-15-9-20(27-2)23(29-4)21(10-15)28-3/h5-11,24,26H,12-13H2,1-4H3
InChIKey
WCZUDWBNSKBQTH-UHFFFAOYSA-N
Compound name
N-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1896 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.19688 195.9
[M+Na]+ 414.17882 205.5
[M-H]- 390.18232 201.5
[M+NH4]+ 409.22342 208.0
[M+K]+ 430.15276 199.2
[M+H-H2O]+ 374.18686 185.9
[M+HCOO]- 436.18780 216.0
[M+CH3COO]- 450.20345 205.8
[M+Na-2H]- 412.16427 199.2
[M]+ 391.18905 202.7
[M]- 391.19015 202.7
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.