CID 137951931

2219354-06-8

Structural Information

Molecular Formula
C23H23NO4
SMILES
C1CC12C[C@H](N(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CC(=O)O
InChI
InChI=1S/C23H23NO4/c25-21(26)11-15-12-23(9-10-23)14-24(15)22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,25,26)/t15-/m1/s1
InChIKey
YCVKSFZEBAHDHL-OAHLLOKOSA-N
Compound name
2-[(6S)-5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[2.4]heptan-6-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 190.5
[M+Na]+ 400.15194 198.7
[M-H]- 376.15544 198.6
[M+NH4]+ 395.19654 203.1
[M+K]+ 416.12588 192.7
[M+H-H2O]+ 360.15998 184.5
[M+HCOO]- 422.16092 205.7
[M+CH3COO]- 436.17657 199.7
[M+Na-2H]- 398.13739 189.4
[M]+ 377.16217 193.8
[M]- 377.16327 193.8
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.