CID 132371669

2155855-74-4

Structural Information

Molecular Formula
C24H21N3O4
SMILES
C1CC(N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C5=NC=C(C=N5)C(=O)O
InChI
InChI=1S/C24H21N3O4/c28-23(29)15-12-25-22(26-13-15)21-10-5-11-27(21)24(30)31-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,12-13,20-21H,5,10-11,14H2,(H,28,29)
InChIKey
HRBDDJDAKKPAEZ-UHFFFAOYSA-N
Compound name
2-[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1532 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.160476 198.0
[M+Na]+ 438.142418 203.8
[M-H]- 414.145924 204.7
[M+NH4]+ 433.187023 208.1
[M+K]+ 454.116358 198.3
[M+H-H2O]+ 398.150460 187.8
[M+HCOO]- 460.151401 211.8
[M+CH3COO]- 474.167051 206.0
[M+Na-2H]- 436.127866 195.7
[M]+ 415.15265142 198.2
[M]- 415.15374858 198.2
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.