CID 54676550

Stk072276

Structural Information

Molecular Formula
C23H25N3O4
SMILES
CCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3C(=O)N)O
InChI
InChI=1S/C23H25N3O4/c1-2-3-4-9-14-26-18-13-8-6-11-16(18)20(27)19(23(26)30)22(29)25-17-12-7-5-10-15(17)21(24)28/h5-8,10-13,27H,2-4,9,14H2,1H3,(H2,24,28)(H,25,29)
InChIKey
JZJBIZSHQLBVLM-UHFFFAOYSA-N
Compound name
N-(2-carbamoylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

407.1845 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19178 198.9
[M+Na]+ 430.17372 204.7
[M-H]- 406.17722 203.3
[M+NH4]+ 425.21832 207.6
[M+K]+ 446.14766 199.3
[M+H-H2O]+ 390.18176 188.9
[M+HCOO]- 452.18270 217.6
[M+CH3COO]- 466.19835 230.2
[M+Na-2H]- 428.15917 199.2
[M]+ 407.18395 200.3
[M]- 407.18505 200.3
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.