CID 3863640

252201-20-0

Structural Information

Molecular Formula
C23H17BrN2O3
SMILES
CCOC(=O)C1=C2C=CC=C(N2C(=C1)C(=O)C3=CC=C(C=C3)Br)C4=CC=CC=N4
InChI
InChI=1S/C23H17BrN2O3/c1-2-29-23(28)17-14-21(22(27)15-9-11-16(24)12-10-15)26-19(17)7-5-8-20(26)18-6-3-4-13-25-18/h3-14H,2H2,1H3
InChIKey
SKPBPEPJLYXSCO-UHFFFAOYSA-N
Compound name
ethyl 3-(4-bromobenzoyl)-5-pyridin-2-ylindolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.04224 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.04952 199.6
[M+Na]+ 471.03146 210.7
[M-H]- 447.03496 210.5
[M+NH4]+ 466.07606 212.2
[M+K]+ 487.00540 198.6
[M+H-H2O]+ 431.03950 196.4
[M+HCOO]- 493.04044 217.7
[M+CH3COO]- 507.05609 211.2
[M+Na-2H]- 469.01691 201.8
[M]+ 448.04169 222.0
[M]- 448.04279 222.0
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.