CID 9619183

N'-(1-(4-ethoxyphenyl)ethylidene)3-(5-me-2-thienyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
CCOC1=CC=C(C=C1)/C(=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)C)/C
InChI
InChI=1S/C19H20N4O2S/c1-4-25-15-8-6-14(7-9-15)13(3)20-23-19(24)17-11-16(21-22-17)18-10-5-12(2)26-18/h5-11H,4H2,1-3H3,(H,21,22)(H,23,24)/b20-13+
InChIKey
DTDPRZIEDKSDBW-DEDYPNTBSA-N
Compound name
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1307 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 187.4
[M+Na]+ 391.11992 195.3
[M-H]- 367.12342 196.3
[M+NH4]+ 386.16452 200.8
[M+K]+ 407.09386 190.1
[M+H-H2O]+ 351.12796 178.6
[M+HCOO]- 413.12890 207.9
[M+CH3COO]- 427.14455 217.6
[M+Na-2H]- 389.10537 185.5
[M]+ 368.13015 192.3
[M]- 368.13125 192.3
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.