CID 82027088

Ethyl 3-amino-1-benzyl-1h-pyrrole-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCOC(=O)C1=C(C=CN1CC2=CC=CC=C2)N
InChI
InChI=1S/C14H16N2O2/c1-2-18-14(17)13-12(15)8-9-16(13)10-11-6-4-3-5-7-11/h3-9H,2,10,15H2,1H3
InChIKey
DLLALWHRZBUNHG-UHFFFAOYSA-N
Compound name
ethyl 3-amino-1-benzylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 155.8
[M+Na]+ 267.110408 163.2
[M-H]- 243.113914 161.1
[M+NH4]+ 262.155013 173.2
[M+K]+ 283.084348 160.0
[M+H-H2O]+ 227.118450 147.9
[M+HCOO]- 289.119391 179.8
[M+CH3COO]- 303.135041 194.5
[M+Na-2H]- 265.095856 158.2
[M]+ 244.12064142 156.7
[M]- 244.12173858 156.7
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.