CID 38966

41734-62-7

Structural Information

Molecular Formula
C17H23ClN2
SMILES
CN(C)CCCN1C2=C(CCCC2)C3=C1C=CC(=C3)Cl
InChI
InChI=1S/C17H23ClN2/c1-19(2)10-5-11-20-16-7-4-3-6-14(16)15-12-13(18)8-9-17(15)20/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
OFAZKVIAGJSAMU-UHFFFAOYSA-N
Compound name
3-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.15497 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16225 170.2
[M+Na]+ 313.14419 178.6
[M-H]- 289.14769 174.9
[M+NH4]+ 308.18879 189.9
[M+K]+ 329.11813 172.8
[M+H-H2O]+ 273.15223 162.8
[M+HCOO]- 335.15317 186.5
[M+CH3COO]- 349.16882 181.7
[M+Na-2H]- 311.12964 173.2
[M]+ 290.15442 173.9
[M]- 290.15552 173.9
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.