CID 137951892

(2e)-4-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpent-2-enedioic acid

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 187.8
[M+Na]+ 404.11047 192.2
[M-H]- 380.11397 190.0
[M+NH4]+ 399.15507 201.0
[M+K]+ 420.08441 188.7
[M+H-H2O]+ 364.11851 181.7
[M+HCOO]- 426.11945 203.8
[M+CH3COO]- 440.13510 215.7
[M+Na-2H]- 402.09592 190.1
[M]+ 381.12070 189.8
[M]- 381.12180 189.8
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.