CID 354965

Ethyl 3h-benzo[e]indole-2-carboxylate

Structural Information

Molecular Formula
C15H13NO2
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC3=CC=CC=C32
InChI
InChI=1S/C15H13NO2/c1-2-18-15(17)14-9-12-11-6-4-3-5-10(11)7-8-13(12)16-14/h3-9,16H,2H2,1H3
InChIKey
MZNWVDAWTJDZLG-UHFFFAOYSA-N
Compound name
ethyl 3H-benzo[e]indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.09464 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 152.4
[M+Na]+ 262.08386 162.4
[M-H]- 238.08736 155.9
[M+NH4]+ 257.12846 172.2
[M+K]+ 278.05780 157.4
[M+H-H2O]+ 222.09190 145.8
[M+HCOO]- 284.09284 173.7
[M+CH3COO]- 298.10849 165.3
[M+Na-2H]- 260.06931 158.9
[M]+ 239.09409 155.1
[M]- 239.09519 155.1
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.