CID 393484

Nsc695555

Structural Information

Molecular Formula
C15H19N3O2
SMILES
C1CN(CCN1)CCOC(=O)C2=CC3=CC=CC=C3N2
InChI
InChI=1S/C15H19N3O2/c19-15(20-10-9-18-7-5-16-6-8-18)14-11-12-3-1-2-4-13(12)17-14/h1-4,11,16-17H,5-10H2
InChIKey
APKMVRYYIUNSRR-UHFFFAOYSA-N
Compound name
2-piperazin-1-ylethyl 1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.14774 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.15502 163.3
[M+Na]+ 296.13696 168.6
[M-H]- 272.14046 163.3
[M+NH4]+ 291.18156 176.2
[M+K]+ 312.11090 163.1
[M+H-H2O]+ 256.14500 153.9
[M+HCOO]- 318.14594 177.6
[M+CH3COO]- 332.16159 172.2
[M+Na-2H]- 294.12241 166.3
[M]+ 273.14719 159.0
[M]- 273.14829 159.0
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.