CID 390183

Nsc687344

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CCOC(=O)C1=C(C(=CN1)C)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H16N2O2/c1-3-20-16(19)15-14(10(2)8-18-15)12-9-17-13-7-5-4-6-11(12)13/h4-9,17-18H,3H2,1-2H3
InChIKey
GAZXWZKUAACEMC-UHFFFAOYSA-N
Compound name
ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 162.0
[M+Na]+ 291.11042 171.7
[M-H]- 267.11392 165.8
[M+NH4]+ 286.15502 179.4
[M+K]+ 307.08436 166.1
[M+H-H2O]+ 251.11846 154.9
[M+HCOO]- 313.11940 182.6
[M+CH3COO]- 327.13505 174.0
[M+Na-2H]- 289.09587 163.4
[M]+ 268.12065 163.7
[M]- 268.12175 163.7
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.