CID 38970

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

Structural Information

Molecular Formula
C19H25ClN2
SMILES
C1CCC2=C(CC1)N(C3=C2C=C(C=C3)Cl)CCN4CCCC4
InChI
InChI=1S/C19H25ClN2/c20-15-8-9-19-17(14-15)16-6-2-1-3-7-18(16)22(19)13-12-21-10-4-5-11-21/h8-9,14H,1-7,10-13H2
InChIKey
PIYCPEWWOHCUKQ-UHFFFAOYSA-N
Compound name
2-chloro-5-(2-pyrrolidin-1-ylethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17062 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17790 177.8
[M+Na]+ 339.15984 185.3
[M-H]- 315.16334 183.9
[M+NH4]+ 334.20444 195.2
[M+K]+ 355.13378 180.4
[M+H-H2O]+ 299.16788 169.1
[M+HCOO]- 361.16882 190.0
[M+CH3COO]- 375.18447 187.6
[M+Na-2H]- 337.14529 176.8
[M]+ 316.17007 174.5
[M]- 316.17117 174.5
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.