CID 5935591

303059-58-7

Structural Information

Molecular Formula
C26H33N3O3
SMILES
CCCCCCCCCCCOC(=O)C1=CC=CC\2=C1C3=CC=CC=C3/C2=N/NC(=O)N
InChI
InChI=1S/C26H33N3O3/c1-2-3-4-5-6-7-8-9-12-18-32-25(30)22-17-13-16-21-23(22)19-14-10-11-15-20(19)24(21)28-29-26(27)31/h10-11,13-17H,2-9,12,18H2,1H3,(H3,27,29,31)/b28-24-
InChIKey
VXGVTQOMORQLPU-COOPMVRXSA-N
Compound name
undecyl (9Z)-9-(carbamoylhydrazinylidene)fluorene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.2522 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.259476 209.4
[M+Na]+ 458.241418 212.2
[M-H]- 434.244924 214.0
[M+NH4]+ 453.286023 222.1
[M+K]+ 474.215358 207.1
[M+H-H2O]+ 418.249460 200.2
[M+HCOO]- 480.250401 231.4
[M+CH3COO]- 494.266051 241.2
[M+Na-2H]- 456.226866 209.0
[M]+ 435.25165142 213.8
[M]- 435.25274858 213.8
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.