CID 131631972

4-chloro-2-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)pent-4-enoic acid

Structural Information

Molecular Formula
C20H18ClNO4
SMILES
C=C(CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)Cl
InChI
InChI=1S/C20H18ClNO4/c1-12(21)10-18(19(23)24)22-20(25)26-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,1,10-11H2,(H,22,25)(H,23,24)
InChIKey
GSTLADHJUCJPFT-UHFFFAOYSA-N
Compound name
4-chloro-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.09244 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09972 186.2
[M+Na]+ 394.08166 192.0
[M-H]- 370.08516 189.8
[M+NH4]+ 389.12626 201.7
[M+K]+ 410.05560 186.5
[M+H-H2O]+ 354.08970 180.5
[M+HCOO]- 416.09064 199.8
[M+CH3COO]- 430.10629 215.9
[M+Na-2H]- 392.06711 186.0
[M]+ 371.09189 189.9
[M]- 371.09299 189.9
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.