CID 5274557

Ethyl 4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)benzoate

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C3C(C=CC2=O)N(C4=CC=CC=C34)C
InChI
InChI=1S/C21H20N2O3/c1-3-26-21(25)14-8-10-15(11-9-14)23-19(24)13-12-18-20(23)16-6-4-5-7-17(16)22(18)2/h4-13,18,20H,3H2,1-2H3
InChIKey
FOYNOORHWUZKCA-UHFFFAOYSA-N
Compound name
ethyl 4-(5-methyl-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1474 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 184.2
[M+Na]+ 371.136618 192.6
[M-H]- 347.140124 190.1
[M+NH4]+ 366.181223 198.4
[M+K]+ 387.110558 187.1
[M+H-H2O]+ 331.144660 174.7
[M+HCOO]- 393.145601 200.6
[M+CH3COO]- 407.161251 194.3
[M+Na-2H]- 369.122066 184.8
[M]+ 348.14685142 185.9
[M]- 348.14794858 185.9
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.