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
3
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

literature stripe

Patent stripe

patents stripe