CID 504843

[(4s)-4-[(4,8-dihydroxyquinoline-2-carbonyl)amino]-5-[2-(2-hydroxybenzoyl)hydrazino]-5-oxo-pentanoyl] 2-hydroxybenzoate

Structural Information

Molecular Formula
C29H24N4O10
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=O)[C@H](CCC(=O)OC(=O)C2=CC=CC=C2O)NC(=O)C3=CC(=O)C4=C(N3)C(=CC=C4)O)O
InChI
InChI=1S/C29H24N4O10/c34-20-9-3-1-6-16(20)26(39)32-33-28(41)18(12-13-24(38)43-29(42)17-7-2-4-10-21(17)35)31-27(40)19-14-23(37)15-8-5-11-22(36)25(15)30-19/h1-11,14,18,34-36H,12-13H2,(H,30,37)(H,31,40)(H,32,39)(H,33,41)/t18-/m0/s1
InChIKey
MIPPUQQGTOZOHL-SFHVURJKSA-N
Compound name
[(4S)-5-[2-(2-hydroxybenzoyl)hydrazinyl]-4-[(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)amino]-5-oxopentanoyl] 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.14923 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.15651 226.9
[M+Na]+ 611.13845 226.0
[M-H]- 587.14195 230.5
[M+NH4]+ 606.18305 224.0
[M+K]+ 627.11239 226.1
[M+H-H2O]+ 571.14649 215.7
[M+HCOO]- 633.14743 239.2
[M+CH3COO]- 647.16308 258.4
[M+Na-2H]- 609.12390 251.2
[M]+ 588.14868 226.3
[M]- 588.14978 226.3
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.