CID 165757603

En300-27732137

Structural Information

Molecular Formula
C22H21NO4
SMILES
C1[C@H]2C[C@H]([C@@H]1CN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C22H21NO4/c24-21(25)19-10-14-9-13(19)11-23(14)22(26)27-12-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-8,13-14,19-20H,9-12H2,(H,24,25)/t13-,14-,19+/m0/s1
InChIKey
SJQZIVLPJWPQOG-CKFHNAJUSA-N
Compound name
(1S,4R,5R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-2-azabicyclo[2.2.1]heptane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.14706 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15434 186.8
[M+Na]+ 386.13628 192.8
[M-H]- 362.13978 192.7
[M+NH4]+ 381.18088 205.8
[M+K]+ 402.11022 188.2
[M+H-H2O]+ 346.14432 181.5
[M+HCOO]- 408.14526 201.6
[M+CH3COO]- 422.16091 196.4
[M+Na-2H]- 384.12173 183.4
[M]+ 363.14651 188.2
[M]- 363.14761 188.2
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.