CID 3044178

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

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC)CNC
InChI
InChI=1S/C18H20N2O/c1-13-17(12-19-2)16-11-15(21-3)9-10-18(16)20(13)14-7-5-4-6-8-14/h4-11,19H,12H2,1-3H3
InChIKey
ALDWFMPWKUUWBI-UHFFFAOYSA-N
Compound name
1-(5-methoxy-2-methyl-1-phenylindol-3-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 165.7
[M+Na]+ 303.146778 175.7
[M-H]- 279.150284 173.0
[M+NH4]+ 298.191383 183.6
[M+K]+ 319.120718 170.4
[M+H-H2O]+ 263.154820 157.5
[M+HCOO]- 325.155761 190.7
[M+CH3COO]- 339.171411 178.6
[M+Na-2H]- 301.132226 170.6
[M]+ 280.15701142 170.0
[M]- 280.15810858 170.0
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.