CID 5274556

Ethyl 4-(2-oxo-5,9b-dihydro-4ah-pyrido[3,2-b]indol-1-yl)benzoate

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)N2C3C(C=CC2=O)NC4=CC=CC=C34
InChI
InChI=1S/C20H18N2O3/c1-2-25-20(24)13-7-9-14(10-8-13)22-18(23)12-11-17-19(22)15-5-3-4-6-16(15)21-17/h3-12,17,19,21H,2H2,1H3
InChIKey
NJOBNLIUFKUCAM-UHFFFAOYSA-N
Compound name
ethyl 4-(2-oxo-5,9b-dihydro-4aH-pyrido[3,2-b]indol-1-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.13174 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.13902 179.2
[M+Na]+ 357.12096 186.7
[M-H]- 333.12446 183.6
[M+NH4]+ 352.16556 193.0
[M+K]+ 373.09490 180.6
[M+H-H2O]+ 317.12900 170.0
[M+HCOO]- 379.12994 194.5
[M+CH3COO]- 393.14559 188.8
[M+Na-2H]- 355.10641 180.7
[M]+ 334.13119 178.5
[M]- 334.13229 178.5
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.