CID 135770361

Brn 4199427

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]+ 311.15025 172.9
[M+Na]+ 333.13219 177.4
[M-H]- 309.13569 180.9
[M+NH4]+ 328.17679 186.8
[M+K]+ 349.10613 174.3
[M+H-H2O]+ 293.14023 163.5
[M+HCOO]- 355.14117 200.8
[M+CH3COO]- 369.15682 217.0
[M+Na-2H]- 331.11764 177.6
[M]+ 310.14242 172.0
[M]- 310.14352 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.