CID 6478519

N^1-(n-.alpha.-caffeonyl-l-tryptophanyl)-n^2-(2-hydroxybenzoyl)-hydrazine

Structural Information

Molecular Formula
C27H24N4O6
SMILES
C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NNC(=O)C3=CC=CC=C3O)NC(=O)/C=C/C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C27H24N4O6/c32-22-8-4-2-6-19(22)26(36)30-31-27(37)21(14-17-15-28-20-7-3-1-5-18(17)20)29-25(35)12-10-16-9-11-23(33)24(34)13-16/h1-13,15,21,28,32-34H,14H2,(H,29,35)(H,30,36)(H,31,37)/b12-10+/t21-/m0/s1
InChIKey
QBPIBIWWFHLZEO-ACUNGTFPSA-N
Compound name
(E)-3-(3,4-dihydroxyphenyl)-N-[(2S)-1-[2-(2-hydroxybenzoyl)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.1696 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.17688 213.5
[M+Na]+ 523.15882 215.1
[M-H]- 499.16232 218.1
[M+NH4]+ 518.20342 216.9
[M+K]+ 539.13276 210.3
[M+H-H2O]+ 483.16686 203.8
[M+HCOO]- 545.16780 230.0
[M+CH3COO]- 559.18345 239.9
[M+Na-2H]- 521.14427 213.0
[M]+ 500.16905 211.2
[M]- 500.17015 211.2
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.