CID 135641899

3-(3,5-dimethyl-1h-pyrazol-4-yl)-n'-[(e)-(2-hydroxy-3-methoxyphenyl)methylidene]propanehydrazide

Structural Information

Molecular Formula
C16H20N4O3
SMILES
CC1=C(C(=NN1)C)CCC(=O)N/N=C/C2=C(C(=CC=C2)OC)O
InChI
InChI=1S/C16H20N4O3/c1-10-13(11(2)19-18-10)7-8-15(21)20-17-9-12-5-4-6-14(23-3)16(12)22/h4-6,9,22H,7-8H2,1-3H3,(H,18,19)(H,20,21)/b17-9+
InChIKey
STMXUIAVEBQUGX-RQZCQDPDSA-N
Compound name
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

316.15353 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16081 174.6
[M+Na]+ 339.14275 181.7
[M-H]- 315.14625 178.1
[M+NH4]+ 334.18735 187.3
[M+K]+ 355.11669 177.4
[M+H-H2O]+ 299.15079 165.6
[M+HCOO]- 361.15173 197.0
[M+CH3COO]- 375.16738 209.9
[M+Na-2H]- 337.12820 175.8
[M]+ 316.15298 176.5
[M]- 316.15408 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.