CID 52526

Cyclohept(b)indole, 5,6,7,8,9,10-hexahydro-10-(3-(dimethylamino)propyl)-2-fluoro-, hydrochloride

Structural Information

Molecular Formula
C18H25FN2
SMILES
CN(C)CCCC1CCCCC2=C1C3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C18H25FN2/c1-21(2)11-5-7-13-6-3-4-8-17-18(13)15-12-14(19)9-10-16(15)20-17/h9-10,12-13,20H,3-8,11H2,1-2H3
InChIKey
GCJWOMXLDCJTQH-UHFFFAOYSA-N
Compound name
3-(2-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.20016 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.20744 166.1
[M+Na]+ 311.18938 172.0
[M-H]- 287.19288 170.0
[M+NH4]+ 306.23398 183.5
[M+K]+ 327.16332 170.3
[M+H-H2O]+ 271.19742 158.9
[M+HCOO]- 333.19836 184.0
[M+CH3COO]- 347.21401 176.4
[M+Na-2H]- 309.17483 168.4
[M]+ 288.19961 162.4
[M]- 288.20071 162.4
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.