CID 38962

41734-60-5

Structural Information

Molecular Formula
C18H25ClN2
SMILES
CCN(CC)CCN1C2=C(CCCC2)C3=C1C=CC(=C3)Cl
InChI
InChI=1S/C18H25ClN2/c1-3-20(4-2)11-12-21-17-8-6-5-7-15(17)16-13-14(19)9-10-18(16)21/h9-10,13H,3-8,11-12H2,1-2H3
InChIKey
MHEXISSYROWGGC-UHFFFAOYSA-N
Compound name
2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17062 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17790 174.9
[M+Na]+ 327.15984 182.9
[M-H]- 303.16334 179.5
[M+NH4]+ 322.20444 194.1
[M+K]+ 343.13378 176.8
[M+H-H2O]+ 287.16788 167.3
[M+HCOO]- 349.16882 190.8
[M+CH3COO]- 363.18447 186.0
[M+Na-2H]- 325.14529 177.4
[M]+ 304.17007 178.9
[M]- 304.17117 178.9
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.