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]+ 350.13868 183.3
[M+Na]+ 372.12062 188.4
[M-H]- 348.12412 186.7
[M+NH4]+ 367.16522 198.7
[M+K]+ 388.09456 183.2
[M+H-H2O]+ 332.12866 176.4
[M+HCOO]- 394.12960 202.1
[M+CH3COO]- 408.14525 213.0
[M+Na-2H]- 370.10607 184.1
[M]+ 349.13085 184.6
[M]- 349.13195 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.