CID 165800613

En300-636457

Structural Information

Molecular Formula
C25H22N2O4
SMILES
C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=CC(=CN=C5)C(=O)O
InChI
InChI=1S/C25H22N2O4/c28-24(29)17-12-16(13-26-14-17)23-10-5-11-27(23)25(30)31-15-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,12-14,22-23H,5,10-11,15H2,(H,28,29)
InChIKey
RLWIFVKOJHNSFN-UHFFFAOYSA-N
Compound name
5-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.15796 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16524 198.9
[M+Na]+ 437.14718 204.3
[M-H]- 413.15068 206.7
[M+NH4]+ 432.19178 210.4
[M+K]+ 453.12112 198.8
[M+H-H2O]+ 397.15522 189.4
[M+HCOO]- 459.15616 213.7
[M+CH3COO]- 473.17181 207.1
[M+Na-2H]- 435.13263 196.0
[M]+ 414.15741 198.8
[M]- 414.15851 198.8
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.