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]+ 382.128526 187.8
[M+Na]+ 404.110468 192.2
[M-H]- 380.113974 190.0
[M+NH4]+ 399.155073 201.0
[M+K]+ 420.084408 188.7
[M+H-H2O]+ 364.118510 181.7
[M+HCOO]- 426.119451 203.8
[M+CH3COO]- 440.135101 215.7
[M+Na-2H]- 402.095916 190.1
[M]+ 381.12070142 189.8
[M]- 381.12179858 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.