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 179.6
[M+Na]+ 345.19372 188.2
[M-H]- 321.19722 186.3
[M+NH4]+ 340.23832 195.7
[M+K]+ 361.16766 182.3
[M+H-H2O]+ 305.20176 170.8
[M+HCOO]- 367.20270 203.5
[M+CH3COO]- 381.21835 214.2
[M+Na-2H]- 343.17917 182.8
[M]+ 322.20395 184.9
[M]- 322.20505 184.9
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.