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]+ 349.15468 184.2
[M+Na]+ 371.13662 192.6
[M-H]- 347.14012 190.1
[M+NH4]+ 366.18122 198.4
[M+K]+ 387.11056 187.1
[M+H-H2O]+ 331.14466 174.7
[M+HCOO]- 393.14560 200.6
[M+CH3COO]- 407.16125 194.3
[M+Na-2H]- 369.12207 184.8
[M]+ 348.14685 185.9
[M]- 348.14795 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.