CID 135434017

4-(acetylacetonylidene hydrazino)-[(5-nitro-2-furyl)methylene]benzoic acid hydrazide

Structural Information

Molecular Formula
C17H15N5O6
SMILES
C/C(=C(\C(=O)C)/N=NC1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])/O
InChI
InChI=1S/C17H15N5O6/c1-10(23)16(11(2)24)20-19-13-5-3-12(4-6-13)17(25)21-18-9-14-7-8-15(28-14)22(26)27/h3-9,23H,1-2H3,(H,21,25)/b16-10-,18-9+,20-19?
InChIKey
PJJWHAALYYXUHP-YXLKYHISSA-N
Compound name
4-[[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]diazenyl]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.10223 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.10951 188.5
[M+Na]+ 408.09145 190.3
[M-H]- 384.09495 198.2
[M+NH4]+ 403.13605 198.4
[M+K]+ 424.06539 186.8
[M+H-H2O]+ 368.09949 183.1
[M+HCOO]- 430.10043 216.8
[M+CH3COO]- 444.11608 224.2
[M+Na-2H]- 406.07690 192.3
[M]+ 385.10168 188.8
[M]- 385.10278 188.8
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.