CID 135770361

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

Structural Information

Molecular Formula
C17H18N4O2
SMILES
CC1=CC=C(C=C1)N=C(/C(=N/N=C/C2=CC=CC=C2O)/C)NO
InChI
InChI=1S/C17H18N4O2/c1-12-7-9-15(10-8-12)19-17(21-23)13(2)20-18-11-14-5-3-4-6-16(14)22/h3-11,22-23H,1-2H3,(H,19,21)/b18-11+,20-13+
InChIKey
AKOUQTGSEWFPPR-QJJSIELFSA-N
Compound name
(2E)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-N'-(4-methylphenyl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14297 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.150246 172.9
[M+Na]+ 333.132188 177.4
[M-H]- 309.135694 180.9
[M+NH4]+ 328.176793 186.8
[M+K]+ 349.106128 174.3
[M+H-H2O]+ 293.140230 163.5
[M+HCOO]- 355.141171 200.8
[M+CH3COO]- 369.156821 217.0
[M+Na-2H]- 331.117636 177.6
[M]+ 310.14242142 172.0
[M]- 310.14351858 172.0
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.