CID 135770364

Brn 4204445

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]+ 327.14516 176.0
[M+Na]+ 349.12710 180.8
[M-H]- 325.13060 183.0
[M+NH4]+ 344.17170 188.7
[M+K]+ 365.10104 177.7
[M+H-H2O]+ 309.13514 166.8
[M+HCOO]- 371.13608 202.6
[M+CH3COO]- 385.15173 218.4
[M+Na-2H]- 347.11255 179.6
[M]+ 326.13733 175.0
[M]- 326.13843 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.