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 179.5
[M+Na]+ 355.18530 185.8
[M-H]- 331.18880 182.0
[M+NH4]+ 350.22990 191.1
[M+K]+ 371.15924 182.6
[M+H-H2O]+ 315.19334 168.8
[M+HCOO]- 377.19428 201.9
[M+CH3COO]- 391.20993 212.4
[M+Na-2H]- 353.17075 180.0
[M]+ 332.19553 183.6
[M]- 332.19663 183.6
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

patents stripe