CID 137952358

2219408-46-3

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(C2)(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H23NO4/c1-16(2,3)23-15(22)19-11-17(12-19)9-18(10-17,14(20)21)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,20,21)
InChIKey
PHPQGTAXSDHJKR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-6-phenyl-2-azaspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 175.1
[M+Na]+ 340.15194 177.8
[M-H]- 316.15544 180.1
[M+NH4]+ 335.19654 178.3
[M+K]+ 356.12588 181.6
[M+H-H2O]+ 300.15998 160.5
[M+HCOO]- 362.16092 186.9
[M+CH3COO]- 376.17657 212.1
[M+Na-2H]- 338.13739 177.2
[M]+ 317.16217 191.1
[M]- 317.16327 191.1
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.