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]+ 416.16048 198.0
[M+Na]+ 438.14242 203.8
[M-H]- 414.14592 204.7
[M+NH4]+ 433.18702 208.1
[M+K]+ 454.11636 198.3
[M+H-H2O]+ 398.15046 187.8
[M+HCOO]- 460.15140 211.8
[M+CH3COO]- 474.16705 206.0
[M+Na-2H]- 436.12787 195.7
[M]+ 415.15265 198.2
[M]- 415.15375 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.