CID 38968

5h-cyclohept(b)indole, 6,7,8,9,10-pentahydro-2-chloro-5-(2-dimethylaminoethyl)-, oxalate

Structural Information

Molecular Formula
C17H23ClN2
SMILES
CN(C)CCN1C2=C(CCCCC2)C3=C1C=CC(=C3)Cl
InChI
InChI=1S/C17H23ClN2/c1-19(2)10-11-20-16-7-5-3-4-6-14(16)15-12-13(18)8-9-17(15)20/h8-9,12H,3-7,10-11H2,1-2H3
InChIKey
JOYXIDHSZURWCV-UHFFFAOYSA-N
Compound name
2-(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-5-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.15497 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16225 167.6
[M+Na]+ 313.14419 175.9
[M-H]- 289.14769 173.8
[M+NH4]+ 308.18879 186.6
[M+K]+ 329.11813 173.8
[M+H-H2O]+ 273.15223 160.9
[M+HCOO]- 335.15317 183.9
[M+CH3COO]- 349.16882 179.1
[M+Na-2H]- 311.12964 170.7
[M]+ 290.15442 168.2
[M]- 290.15552 168.2
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

No patent data available for this compound.