CID 146109637

2137457-61-3

Structural Information

Molecular Formula
C25H19F2N3O4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CN4C=NC5=CC(=C(C=C54)F)F)C(=O)O
InChI
InChI=1S/C25H19F2N3O4/c26-19-9-21-23(10-20(19)27)30(13-28-21)11-22(24(31)32)29-25(33)34-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,13,18,22H,11-12H2,(H,29,33)(H,31,32)
InChIKey
QVJPFGJZTITVQB-UHFFFAOYSA-N
Compound name
3-(5,6-difluorobenzimidazol-1-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.13437 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.14165 206.2
[M+Na]+ 486.12359 214.1
[M-H]- 462.12709 210.5
[M+NH4]+ 481.16819 217.0
[M+K]+ 502.09753 208.0
[M+H-H2O]+ 446.13163 195.8
[M+HCOO]- 508.13257 221.5
[M+CH3COO]- 522.14822 214.1
[M+Na-2H]- 484.10904 205.2
[M]+ 463.13382 209.2
[M]- 463.13492 209.2
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.