CID 135599746

Brn 4197783

Structural Information

Molecular Formula
C16H15ClN4O
SMILES
C/C(=N\N=C\C1=CC=CC=C1)/C(=NC2=CC(=CC=C2)Cl)NO
InChI
InChI=1S/C16H15ClN4O/c1-12(20-18-11-13-6-3-2-4-7-13)16(21-22)19-15-9-5-8-14(17)10-15/h2-11,22H,1H3,(H,19,21)/b18-11+,20-12+
InChIKey
RCBCPGDVYMRFCB-IVGCYQQZSA-N
Compound name
(2E)-2-[(E)-benzylidenehydrazinylidene]-N'-(3-chlorophenyl)-N-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10072 174.0
[M+Na]+ 337.08266 179.4
[M-H]- 313.08616 182.8
[M+NH4]+ 332.12726 189.1
[M+K]+ 353.05660 174.7
[M+H-H2O]+ 297.09070 165.3
[M+HCOO]- 359.09164 199.0
[M+CH3COO]- 373.10729 216.5
[M+Na-2H]- 335.06811 179.6
[M]+ 314.09289 175.2
[M]- 314.09399 175.2
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.