CID 135770364

Propanimidamide, 2-(((2,4-dihydroxyphenyl)methylene)hydrazono)-n-hydroxy-n'-(4-methylphenyl)-

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CC1=CC=C(C=C1)N=C(/C(=N/N=C/C2=C(C=C(C=C2)O)O)/C)NO
InChI
InChI=1S/C17H18N4O3/c1-11-3-6-14(7-4-11)19-17(21-24)12(2)20-18-10-13-5-8-15(22)9-16(13)23/h3-10,22-24H,1-2H3,(H,19,21)/b18-10+,20-12+
InChIKey
WCZITMWVUQXOAM-VSLWDWNJSA-N
Compound name
(2E)-2-[(E)-(2,4-dihydroxyphenyl)methylidenehydrazinylidene]-N-hydroxy-N'-(4-methylphenyl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13788 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.145156 176.0
[M+Na]+ 349.127098 180.8
[M-H]- 325.130604 183.0
[M+NH4]+ 344.171703 188.7
[M+K]+ 365.101038 177.7
[M+H-H2O]+ 309.135140 166.8
[M+HCOO]- 371.136081 202.6
[M+CH3COO]- 385.151731 218.4
[M+Na-2H]- 347.112546 179.6
[M]+ 326.13733142 175.0
[M]- 326.13842858 175.0
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.