CID 5392904

3-(3,5-dimethyl-1h-pyrazol-4-yl)-n'-[(1e)-1-(4-nitrophenyl)ethylidene]propanehydrazide

Structural Information

Molecular Formula
C16H19N5O3
SMILES
CC1=C(C(=NN1)C)CCC(=O)N/N=C(\C)/C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H19N5O3/c1-10(13-4-6-14(7-5-13)21(23)24)17-20-16(22)9-8-15-11(2)18-19-12(15)3/h4-7H,8-9H2,1-3H3,(H,18,19)(H,20,22)/b17-10+
InChIKey
MSAQFERSYLSCNE-LICLKQGHSA-N
Compound name
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(E)-1-(4-nitrophenyl)ethylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

329.1488 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.156076 175.9
[M+Na]+ 352.138018 180.6
[M-H]- 328.141524 180.5
[M+NH4]+ 347.182623 187.3
[M+K]+ 368.111958 172.9
[M+H-H2O]+ 312.146060 171.0
[M+HCOO]- 374.147001 199.5
[M+CH3COO]- 388.162651 208.2
[M+Na-2H]- 350.123466 179.4
[M]+ 329.14825142 174.2
[M]- 329.14934858 174.2
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.