CID 52528

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

Structural Information

Molecular Formula
C18H26N2
SMILES
CN(C)CCCN1C2=C(CCCCC2)C3=CC=CC=C31
InChI
InChI=1S/C18H26N2/c1-19(2)13-8-14-20-17-11-5-3-4-9-15(17)16-10-6-7-12-18(16)20/h6-7,10,12H,3-5,8-9,11,13-14H2,1-2H3
InChIKey
FSHWGTLIMHKLMR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

270.2096 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21688 164.5
[M+Na]+ 293.19882 170.0
[M-H]- 269.20232 170.7
[M+NH4]+ 288.24342 183.0
[M+K]+ 309.17276 169.2
[M+H-H2O]+ 253.20686 157.7
[M+HCOO]- 315.20780 184.8
[M+CH3COO]- 329.22345 175.6
[M+Na-2H]- 291.18427 168.3
[M]+ 270.20905 163.2
[M]- 270.21015 163.2
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

patents stripe