CID 3073191

1h-pyrazole-1-carboxamide, n,n'-1,6-hexanediylbis(3(or 5)-methyl-

Structural Information

Molecular Formula
C16H24N6O2
SMILES
CC1=NN(C=C1)C(=O)NCCCCCCNC(=O)N2C=CC(=N2)C
InChI
InChI=1S/C16H24N6O2/c1-13-7-11-21(19-13)15(23)17-9-5-3-4-6-10-18-16(24)22-12-8-14(2)20-22/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,17,23)(H,18,24)
InChIKey
XSBHTRGQLMDQHV-UHFFFAOYSA-N
Compound name
3-methyl-N-[6-[(3-methylpyrazole-1-carbonyl)amino]hexyl]pyrazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19608 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20336 179.1
[M+Na]+ 355.18530 187.0
[M+NH4]+ 350.22990 182.4
[M+K]+ 371.15924 186.5
[M-H]- 331.18880 178.8
[M+Na-2H]- 353.17075 182.9
[M]+ 332.19553 179.4
[M]- 332.19663 179.4
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.