CID 135770360

Brn 4201681

Structural Information

Molecular Formula
C16H15ClN4O2
SMILES
C/C(=N\N=C\C1=CC=CC=C1O)/C(=NC2=CC=C(C=C2)Cl)NO
InChI
InChI=1S/C16H15ClN4O2/c1-11(20-18-10-12-4-2-3-5-15(12)22)16(21-23)19-14-8-6-13(17)7-9-14/h2-10,22-23H,1H3,(H,19,21)/b18-10+,20-11+
InChIKey
OTLVXECBLQVTAB-BFLVDURVSA-N
Compound name
(2E)-N'-(4-chlorophenyl)-N-hydroxy-2-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.08835 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09563 176.8
[M+Na]+ 353.07757 182.5
[M-H]- 329.08107 184.7
[M+NH4]+ 348.12217 190.7
[M+K]+ 369.05151 177.8
[M+H-H2O]+ 313.08561 168.5
[M+HCOO]- 375.08655 200.5
[M+CH3COO]- 389.10220 217.6
[M+Na-2H]- 351.06302 181.3
[M]+ 330.08780 178.0
[M]- 330.08890 178.0
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.