CID 135599747

Propanimidamide, n-hydroxy-n'-(3-methylphenyl)-2-((phenylmethylene)hydrazono)-

Structural Information

Molecular Formula
C17H18N4O
SMILES
CC1=CC(=CC=C1)N=C(/C(=N/N=C/C2=CC=CC=C2)/C)NO
InChI
InChI=1S/C17H18N4O/c1-13-7-6-10-16(11-13)19-17(21-22)14(2)20-18-12-15-8-4-3-5-9-15/h3-12,22H,1-2H3,(H,19,21)/b18-12+,20-14+
InChIKey
ZPEONBMPKKGFSK-GGHXPAJASA-N
Compound name
(2E)-2-[(E)-benzylidenehydrazinylidene]-N-hydroxy-N'-(3-methylphenyl)propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.14807 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 169.7
[M+Na]+ 317.13729 173.8
[M-H]- 293.14079 178.7
[M+NH4]+ 312.18189 184.7
[M+K]+ 333.11123 170.9
[M+H-H2O]+ 277.14533 160.0
[M+HCOO]- 339.14627 198.9
[M+CH3COO]- 353.16192 215.9
[M+Na-2H]- 315.12274 175.5
[M]+ 294.14752 168.9
[M]- 294.14862 168.9
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.