CID 6865098

303104-95-2

Structural Information

Molecular Formula
C20H21N5O
SMILES
CC(C)CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=N3
InChI
InChI=1S/C20H21N5O/c1-14(2)11-15-6-8-16(9-7-15)18-12-19(24-23-18)20(26)25-22-13-17-5-3-4-10-21-17/h3-10,12-14H,11H2,1-2H3,(H,23,24)(H,25,26)/b22-13+
InChIKey
KBPJDAUTUATIBA-LPYMAVHISA-N
Compound name
3-[4-(2-methylpropyl)phenyl]-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.17462 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18190 183.6
[M+Na]+ 370.16384 188.8
[M-H]- 346.16734 189.5
[M+NH4]+ 365.20844 193.2
[M+K]+ 386.13778 182.8
[M+H-H2O]+ 330.17188 172.1
[M+HCOO]- 392.17282 204.8
[M+CH3COO]- 406.18847 216.8
[M+Na-2H]- 368.14929 186.0
[M]+ 347.17407 182.6
[M]- 347.17517 182.6
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.