CID 373622

Nsc650270

Structural Information

Molecular Formula
C23H19NO3
SMILES
COC(=O)C1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C(C4=CC=CC=C4)O
InChI
InChI=1S/C23H19NO3/c1-27-23(26)20-18-14-8-9-15-24(18)21(19(20)16-10-4-2-5-11-16)22(25)17-12-6-3-7-13-17/h2-15,22,25H,1H3
InChIKey
ATJNCYSHIUAEJD-UHFFFAOYSA-N
Compound name
methyl 3-[hydroxy(phenyl)methyl]-2-phenylindolizine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1365 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14378 185.4
[M+Na]+ 380.12572 193.0
[M-H]- 356.12922 194.1
[M+NH4]+ 375.17032 198.2
[M+K]+ 396.09966 187.3
[M+H-H2O]+ 340.13376 175.9
[M+HCOO]- 402.13470 205.7
[M+CH3COO]- 416.15035 195.9
[M+Na-2H]- 378.11117 187.2
[M]+ 357.13595 187.7
[M]- 357.13705 187.7
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.