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]+ 436.25948 209.4
[M+Na]+ 458.24142 212.2
[M-H]- 434.24492 214.0
[M+NH4]+ 453.28602 222.1
[M+K]+ 474.21536 207.1
[M+H-H2O]+ 418.24946 200.2
[M+HCOO]- 480.25040 231.4
[M+CH3COO]- 494.26605 241.2
[M+Na-2H]- 456.22687 209.0
[M]+ 435.25165 213.8
[M]- 435.25275 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.