CID 132992799

1691932-59-8

Structural Information

Molecular Formula
C24H25NO4
SMILES
C1CC2CC1CC2C(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C24H25NO4/c26-23(27)22(20-12-14-9-10-15(20)11-14)25-24(28)29-13-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-8,14-15,20-22H,9-13H2,(H,25,28)(H,26,27)
InChIKey
IKUIBQOKBVWRQQ-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[2.2.1]heptanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

391.17834 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.185616 193.1
[M+Na]+ 414.167558 196.1
[M-H]- 390.171064 199.5
[M+NH4]+ 409.212163 211.5
[M+K]+ 430.141498 191.8
[M+H-H2O]+ 374.175600 188.2
[M+HCOO]- 436.176541 208.5
[M+CH3COO]- 450.192191 201.6
[M+Na-2H]- 412.153006 189.7
[M]+ 391.17779142 193.1
[M]- 391.17888858 193.1
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

patents stripe