CID 76964067

(r)-daledalin

Structural Information

Molecular Formula
C19H24N2
SMILES
C[C@@]1(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/t19-/m0/s1
InChIKey
YFAIJBZEDDOCAN-IBGZPJMESA-N
Compound name
N-methyl-3-[(3R)-3-methyl-1-phenyl-2H-indol-3-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.19394 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 168.2
[M+Na]+ 303.18316 175.0
[M-H]- 279.18666 174.1
[M+NH4]+ 298.22776 187.4
[M+K]+ 319.15710 169.4
[M+H-H2O]+ 263.19120 159.7
[M+HCOO]- 325.19214 189.9
[M+CH3COO]- 339.20779 179.5
[M+Na-2H]- 301.16861 172.9
[M]+ 280.19339 168.0
[M]- 280.19449 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.