CID 5912509

303106-47-0

Structural Information

Molecular Formula

C₁₈H₁₈N₄O₂S

SMILES

CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C(/C)\C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N4O2S/c1-11-4-9-17(25-11)15-10-16(21-20-15)18(23)22-19-12(2)13-5-7-14(24-3)8-6-13/h4-10H,1-3H3,(H,20,21)(H,22,23)/b19-12-

InChIKey

QXZBFUYZCMVZNQ-UNOMPAQXSA-N

Compound name

N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 354.11505 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.122326	183.2
[M+Na]+	377.104268	191.5
[M-H]-	353.107774	192.3
[M+NH4]+	372.148873	197.2
[M+K]+	393.078208	186.6
[M+H-H2O]+	337.112310	174.6
[M+HCOO]-	399.113251	204.0
[M+CH3COO]-	413.128901	214.7
[M+Na-2H]-	375.089716	181.8
[M]+	354.11450142	187.7
[M]-	354.11559858	187.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.