CID 1278708

70654-02-3

Structural Information

Molecular Formula
C26H19NO3
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=CC=C4)C=CC5=CC=CC=C53
InChI
InChI=1S/C26H19NO3/c1-2-30-26(29)21-16-24(25(28)18-9-4-3-5-10-18)27-22-14-12-17-8-6-7-11-19(17)20(22)13-15-23(21)27/h3-16H,2H2,1H3
InChIKey
CZEYZEGCXVPGLD-UHFFFAOYSA-N
Compound name
ethyl 3-benzoylnaphtho[2,1-e]indolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.1365 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14378 196.2
[M+Na]+ 416.12572 205.8
[M-H]- 392.12922 204.9
[M+NH4]+ 411.17032 210.2
[M+K]+ 432.09966 199.1
[M+H-H2O]+ 376.13376 186.1
[M+HCOO]- 438.13470 216.0
[M+CH3COO]- 452.15035 206.6
[M+Na-2H]- 414.11117 200.0
[M]+ 393.13595 201.9
[M]- 393.13705 201.9
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.