CID 21722

Iprindole

Structural Information

Molecular Formula
C19H28N2
SMILES
CN(C)CCCN1C2=C(CCCCCC2)C3=CC=CC=C31
InChI
InChI=1S/C19H28N2/c1-20(2)14-9-15-21-18-12-6-4-3-5-10-16(18)17-11-7-8-13-19(17)21/h7-8,11,13H,3-6,9-10,12,14-15H2,1-2H3
InChIKey
PLIGPBGDXASWPX-UHFFFAOYSA-N
Compound name
3-(6,7,8,9,10,11-hexahydrocycloocta[b]indol-5-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

196
References

6127
Patents

284.22525 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.232526 172.1
[M+Na]+ 307.214468 176.3
[M-H]- 283.217974 174.2
[M+NH4]+ 302.259073 180.4
[M+K]+ 323.188408 175.2
[M+H-H2O]+ 267.222510 167.1
[M+HCOO]- 329.223451 180.6
[M+CH3COO]- 343.239101 175.8
[M+Na-2H]- 305.199916 170.5
[M]+ 284.22470142 172.0
[M]- 284.22579858 172.0
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