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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 183.2
[M+Na]+ 377.10427 191.5
[M-H]- 353.10777 192.3
[M+NH4]+ 372.14887 197.2
[M+K]+ 393.07821 186.6
[M+H-H2O]+ 337.11231 174.6
[M+HCOO]- 399.11325 204.0
[M+CH3COO]- 413.12890 214.7
[M+Na-2H]- 375.08972 181.8
[M]+ 354.11450 187.7
[M]- 354.11560 187.7
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.