CID 163311943

Wiknddomovqllm-wmldxeaasa-n

Structural Information

Molecular Formula
C17H22N2O4
SMILES
C1C[C@]2(CN(CC[C@@H]2O)CC3=CC=C(C=C3)C(=O)O)C(=O)NC1
InChI
InChI=1S/C17H22N2O4/c20-14-6-9-19(11-17(14)7-1-8-18-16(17)23)10-12-2-4-13(5-3-12)15(21)22/h2-5,14,20H,1,6-11H2,(H,18,23)(H,21,22)/t14-,17+/m0/s1
InChIKey
WIKNDDOMOVQLLM-WMLDXEAASA-N
Compound name
4-[[(6R,11S)-11-hydroxy-1-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.15796 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16524 176.4
[M+Na]+ 341.14718 179.9
[M-H]- 317.15068 177.2
[M+NH4]+ 336.19178 187.5
[M+K]+ 357.12112 175.0
[M+H-H2O]+ 301.15522 167.6
[M+HCOO]- 363.15616 185.3
[M+CH3COO]- 377.17181 198.7
[M+Na-2H]- 339.13263 176.6
[M]+ 318.15741 167.0
[M]- 318.15851 167.0
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.