CID 3073192

1h-pyrazole-1-carboxamide, n,n'-1,4-butanediylbis(3(or 5)-methyl-

Structural Information

Molecular Formula
C14H20N6O2
SMILES
CC1=NN(C=C1)C(=O)NCCCCNC(=O)N2C=CC(=N2)C
InChI
InChI=1S/C14H20N6O2/c1-11-5-9-19(17-11)13(21)15-7-3-4-8-16-14(22)20-10-6-12(2)18-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,21)(H,16,22)
InChIKey
WJIOHMVWGVGWJW-UHFFFAOYSA-N
Compound name
3-methyl-N-[4-[(3-methylpyrazole-1-carbonyl)amino]butyl]pyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6575
Patents

304.16476 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17204 170.9
[M+Na]+ 327.15398 178.1
[M-H]- 303.15748 173.8
[M+NH4]+ 322.19858 183.7
[M+K]+ 343.12792 175.3
[M+H-H2O]+ 287.16202 160.6
[M+HCOO]- 349.16296 194.0
[M+CH3COO]- 363.17861 206.6
[M+Na-2H]- 325.13943 172.3
[M]+ 304.16421 174.3
[M]- 304.16531 174.3
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

patents stripe