CID 3044176

1h-indole-3-methanamine, 5-methoxy-2-methyl-1-phenyl-n-propyl-, (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C20H24N2O
SMILES
CCCNCC1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC=C3)C
InChI
InChI=1S/C20H24N2O/c1-4-12-21-14-19-15(2)22(16-8-6-5-7-9-16)20-11-10-17(23-3)13-18(19)20/h5-11,13,21H,4,12,14H2,1-3H3
InChIKey
NHTYWRXOOKJTPZ-UHFFFAOYSA-N
Compound name
N-[(5-methoxy-2-methyl-1-phenylindol-3-yl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19615 175.0
[M+Na]+ 331.17809 184.1
[M-H]- 307.18159 181.9
[M+NH4]+ 326.22269 191.7
[M+K]+ 347.15203 178.3
[M+H-H2O]+ 291.18613 166.4
[M+HCOO]- 353.18707 199.3
[M+CH3COO]- 367.20272 211.3
[M+Na-2H]- 329.16354 178.7
[M]+ 308.18832 179.9
[M]- 308.18942 179.9
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.