CID 31707

Daledalin

Structural Information

Molecular Formula
C19H24N2
SMILES
CC1(CN(C2=CC=CC=C21)C3=CC=CC=C3)CCCNC
InChI
InChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3
InChIKey
YFAIJBZEDDOCAN-UHFFFAOYSA-N
Compound name
N-methyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

433
Patents

280.19394 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 168.2
[M+Na]+ 303.183158 175.0
[M-H]- 279.186664 174.1
[M+NH4]+ 298.227763 187.4
[M+K]+ 319.157098 169.4
[M+H-H2O]+ 263.191200 159.7
[M+HCOO]- 325.192141 189.9
[M+CH3COO]- 339.207791 179.5
[M+Na-2H]- 301.168606 172.9
[M]+ 280.19339142 168.0
[M]- 280.19448858 168.0
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.