CID 3079326

125103-57-3

Structural Information

Molecular Formula
C19H27N3O
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N(C(C)C)C(C)C
InChI
InChI=1S/C19H27N3O/c1-13(2)21(14(3)4)19(23)12-18-15(5)20-22(16(18)6)17-10-8-7-9-11-17/h7-11,13-14H,12H2,1-6H3
InChIKey
RHSOSHVNVJVWGA-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N,N-di(propan-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.21542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.222696 178.5
[M+Na]+ 336.204638 184.4
[M-H]- 312.208144 184.2
[M+NH4]+ 331.249243 192.8
[M+K]+ 352.178578 182.0
[M+H-H2O]+ 296.212680 169.4
[M+HCOO]- 358.213621 198.3
[M+CH3COO]- 372.229271 217.1
[M+Na-2H]- 334.190086 175.6
[M]+ 313.21487142 181.8
[M]- 313.21596858 181.8
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.