CID 6865099

303107-07-5

Structural Information

Molecular Formula
C19H20N4OS
SMILES
CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CS3
InChI
InChI=1S/C19H20N4OS/c1-13(2)10-14-5-7-15(8-6-14)17-11-18(22-21-17)19(24)23-20-12-16-4-3-9-25-16/h3-9,11-13H,10H2,1-2H3,(H,21,22)(H,23,24)/b20-12+
InChIKey
KPPHEBNBIZPQSU-UDWIEESQSA-N
Compound name
3-[4-(2-methylpropyl)phenyl]-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13577 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 183.2
[M+Na]+ 375.12499 194.0
[M+NH4]+ 370.16959 189.9
[M+K]+ 391.09893 188.9
[M-H]- 351.12849 188.1
[M+Na-2H]- 373.11044 191.1
[M]+ 352.13522 186.3
[M]- 352.13632 186.3
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.