CID 135770362

Brn 4203920

Structural Information

Molecular Formula
C17H18N4O3
SMILES
C/C(=N\N=C\C1=CC=CC=C1O)/C(=NC2=CC=C(C=C2)OC)NO
InChI
InChI=1S/C17H18N4O3/c1-12(20-18-11-13-5-3-4-6-16(13)22)17(21-23)19-14-7-9-15(24-2)10-8-14/h3-11,22-23H,1-2H3,(H,19,21)/b18-11+,20-12+
InChIKey
BVJPELCVVYPKNL-IVGCYQQZSA-N
Compound name
(2E)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-N'-(4-methoxyphenyl)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 175.4
[M+Na]+ 349.12710 179.7
[M-H]- 325.13060 183.3
[M+NH4]+ 344.17170 188.4
[M+K]+ 365.10104 177.3
[M+H-H2O]+ 309.13514 165.7
[M+HCOO]- 371.13608 203.5
[M+CH3COO]- 385.15173 219.3
[M+Na-2H]- 347.11255 180.2
[M]+ 326.13733 175.8
[M]- 326.13843 175.8
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.