CID 137951892

2220111-38-4

Structural Information

Molecular Formula
C21H19NO6
SMILES
CC(/C=C/C(=O)O)(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H19NO6/c1-21(19(25)26,11-10-18(23)24)22-20(27)28-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-11,17H,12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/b11-10+
InChIKey
MEKHPLYYKJFFNI-ZHACJKMWSA-N
Compound name
(E)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpent-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.12125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12853 186.8
[M+Na]+ 404.11047 194.2
[M+NH4]+ 399.15507 190.9
[M+K]+ 420.08441 192.9
[M-H]- 380.11397 185.2
[M+Na-2H]- 402.09592 187.6
[M]+ 381.12070 186.8
[M]- 381.12180 186.8
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.