CID 24208979

853329-74-5

Structural Information

Molecular Formula
C26H25NO3
SMILES
CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC4=CC=CC=C4C=C3)C(C)(C)C
InChI
InChI=1S/C26H25NO3/c1-5-30-25(29)21-16-23(27-13-12-20(15-22(21)27)26(2,3)4)24(28)19-11-10-17-8-6-7-9-18(17)14-19/h6-16H,5H2,1-4H3
InChIKey
PLXUEZMQUYKTBJ-UHFFFAOYSA-N
Compound name
ethyl 7-tert-butyl-3-(naphthalene-2-carbonyl)indolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.18344 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19072 201.0
[M+Na]+ 422.17266 209.2
[M-H]- 398.17616 208.7
[M+NH4]+ 417.21726 214.5
[M+K]+ 438.14660 203.8
[M+H-H2O]+ 382.18070 192.2
[M+HCOO]- 444.18164 218.5
[M+CH3COO]- 458.19729 225.3
[M+Na-2H]- 420.15811 202.5
[M]+ 399.18289 206.6
[M]- 399.18399 206.6
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.