CID 135599766

Brn 4210387

Structural Information

Molecular Formula
C18H19ClN4O3
SMILES
C/C(=N\N=C\C1=C(C=C(C=C1)OC)OC)/C(=NC2=CC(=CC=C2)Cl)NO
InChI
InChI=1S/C18H19ClN4O3/c1-12(18(23-24)21-15-6-4-5-14(19)9-15)22-20-11-13-7-8-16(25-2)10-17(13)26-3/h4-11,24H,1-3H3,(H,21,23)/b20-11+,22-12+
InChIKey
BNKOKDWDROHGIS-HTAXKFFTSA-N
Compound name
(2E)-N'-(3-chlorophenyl)-2-[(E)-(2,4-dimethoxyphenyl)methylidenehydrazinylidene]-N-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11456 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12184 189.0
[M+Na]+ 397.10378 194.9
[M-H]- 373.10728 198.2
[M+NH4]+ 392.14838 202.0
[M+K]+ 413.07772 191.4
[M+H-H2O]+ 357.11182 179.9
[M+HCOO]- 419.11276 213.7
[M+CH3COO]- 433.12841 229.3
[M+Na-2H]- 395.08923 192.2
[M]+ 374.11401 194.4
[M]- 374.11511 194.4
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.