CID 135483966

Nsc622480

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CCCCCCCCCCC/C(=N\O)/C1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C21H30N2O2/c1-2-3-4-5-6-7-8-9-10-13-19(23-25)17-14-15-20(24)21-18(17)12-11-16-22-21/h11-12,14-16,24-25H,2-10,13H2,1H3/b23-19+
InChIKey
HGVLSCJIZJAIFB-FCDQGJHFSA-N
Compound name
5-[(E)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.23074 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 187.1
[M+Na]+ 365.21996 191.0
[M-H]- 341.22346 187.4
[M+NH4]+ 360.26456 199.3
[M+K]+ 381.19390 185.5
[M+H-H2O]+ 325.22800 178.1
[M+HCOO]- 387.22894 205.2
[M+CH3COO]- 401.24459 215.5
[M+Na-2H]- 363.20541 189.5
[M]+ 342.23019 190.0
[M]- 342.23129 190.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.