CID 2756212

215190-27-5

Structural Information

Molecular Formula
C30H29N3O5
SMILES
C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C30H29N3O5/c34-27(35)18-32-20-33(21-8-2-1-3-9-21)30(28(32)36)14-16-31(17-15-30)29(37)38-19-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h1-13,26H,14-20H2,(H,34,35)
InChIKey
ZSJFVKWLUVYERT-UHFFFAOYSA-N
Compound name
2-[8-(9H-fluoren-9-ylmethoxycarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

511.21072 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.21800 223.8
[M+Na]+ 534.19994 235.0
[M+NH4]+ 529.24454 230.4
[M+K]+ 550.17388 230.2
[M-H]- 510.20344 227.9
[M+Na-2H]- 532.18539 228.5
[M]+ 511.21017 226.4
[M]- 511.21127 226.4
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

patents stripe