CID 3684213

N'-[(3z)-1-benzyl-5-nitro-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-2-hydroxybenzohydrazide

Structural Information

Molecular Formula
C22H16N4O5
SMILES
C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NC(=O)C4=CC=CC=C4O
InChI
InChI=1S/C22H16N4O5/c27-19-9-5-4-8-16(19)21(28)24-23-20-17-12-15(26(30)31)10-11-18(17)25(22(20)29)13-14-6-2-1-3-7-14/h1-12,27,29H,13H2
InChIKey
NMQUMJPHJUZODR-UHFFFAOYSA-N
Compound name
N-(1-benzyl-2-hydroxy-5-nitroindol-3-yl)imino-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.11206 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11934 193.7
[M+Na]+ 439.10128 199.5
[M-H]- 415.10478 204.1
[M+NH4]+ 434.14588 203.0
[M+K]+ 455.07522 190.9
[M+H-H2O]+ 399.10932 187.4
[M+HCOO]- 461.11026 219.4
[M+CH3COO]- 475.12591 223.3
[M+Na-2H]- 437.08673 200.2
[M]+ 416.11151 195.1
[M]- 416.11261 195.1
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.