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

6
Patents

391.17834 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 193.1
[M+Na]+ 414.16756 196.1
[M-H]- 390.17106 199.5
[M+NH4]+ 409.21216 211.5
[M+K]+ 430.14150 191.8
[M+H-H2O]+ 374.17560 188.2
[M+HCOO]- 436.17654 208.5
[M+CH3COO]- 450.19219 201.6
[M+Na-2H]- 412.15301 189.7
[M]+ 391.17779 193.1
[M]- 391.17889 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