CID 3044174

N-butyl-5-methoxy-2-methyl-1-phenyl-1h-indole-3-methanamine (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C21H26N2O
SMILES
CCCCNCC1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C
InChI
InChI=1S/C21H26N2O/c1-4-5-13-22-15-20-16(2)23(17-9-7-6-8-10-17)21-12-11-18(24-3)14-19(20)21/h6-12,14,22H,4-5,13,15H2,1-3H3
InChIKey
SBWOQGAMDLMASL-UHFFFAOYSA-N
Compound name
N-[(5-methoxy-2-methyl-1-phenylindol-3-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 180.2
[M+Na]+ 345.19372 195.1
[M+NH4]+ 340.23832 188.8
[M+K]+ 361.16766 187.2
[M-H]- 321.19722 185.7
[M+Na-2H]- 343.17917 188.3
[M]+ 322.20395 184.1
[M]- 322.20505 184.1
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.