CID 3044172

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

Structural Information

Molecular Formula
C23H28N2O
SMILES
CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC)CNC4CCCCC4
InChI
InChI=1S/C23H28N2O/c1-17-22(16-24-18-9-5-3-6-10-18)21-15-20(26-2)13-14-23(21)25(17)19-11-7-4-8-12-19/h4,7-8,11-15,18,24H,3,5-6,9-10,16H2,1-2H3
InChIKey
SRECBKMOSXARSQ-UHFFFAOYSA-N
Compound name
N-[(5-methoxy-2-methyl-1-phenylindol-3-yl)methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.227426 185.3
[M+Na]+ 371.209368 191.2
[M-H]- 347.212874 194.1
[M+NH4]+ 366.253973 199.4
[M+K]+ 387.183308 184.7
[M+H-H2O]+ 331.217410 175.2
[M+HCOO]- 393.218351 205.4
[M+CH3COO]- 407.234001 195.2
[M+Na-2H]- 369.194816 186.7
[M]+ 348.21960142 184.2
[M]- 348.22069858 184.2
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.