CID 154577480

2418650-69-6

Structural Information

Molecular Formula
C21H19NO4
SMILES
C=C=CCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H19NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h3-11,18-19H,1,12-13H2,(H,22,25)(H,23,24)
InChIKey
CGOCTVVERQJHPW-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)hexa-4,5-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1314 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.138676 183.3
[M+Na]+ 372.120618 188.4
[M-H]- 348.124124 186.7
[M+NH4]+ 367.165223 198.7
[M+K]+ 388.094558 183.2
[M+H-H2O]+ 332.128660 176.4
[M+HCOO]- 394.129601 202.1
[M+CH3COO]- 408.145251 213.0
[M+Na-2H]- 370.106066 184.1
[M]+ 349.13085142 184.6
[M]- 349.13194858 184.6
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.