CID 103666226

273222-02-9

Structural Information

Molecular Formula
C24H22N2O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC4=CC=NC=C4)C(=O)O
InChI
InChI=1S/C24H22N2O4/c27-23(28)22(10-9-16-11-13-25-14-12-16)26-24(29)30-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,11-14,21-22H,9-10,15H2,(H,26,29)(H,27,28)
InChIKey
FKBUYAZUIRMSJK-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-pyridin-4-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

402.15796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16524 195.2
[M+Na]+ 425.14718 199.1
[M-H]- 401.15068 200.3
[M+NH4]+ 420.19178 206.4
[M+K]+ 441.12112 194.3
[M+H-H2O]+ 385.15522 185.8
[M+HCOO]- 447.15616 212.5
[M+CH3COO]- 461.17181 222.7
[M+Na-2H]- 423.13263 196.9
[M]+ 402.15741 196.8
[M]- 402.15851 196.8
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

patents stripe