CID 202327

10116-07-1

Structural Information

Molecular Formula
C14H17N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)OC
InChI
InChI=1S/C14H17N3O3/c1-10-12(15(2)14(19)20-4)13(18)17(16(10)3)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKey
BPVKVZRUFQGGRO-UHFFFAOYSA-N
Compound name
methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12698 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.13426 162.3
[M+Na]+ 298.11620 174.4
[M+NH4]+ 293.16080 168.3
[M+K]+ 314.09014 171.6
[M-H]- 274.11970 164.3
[M+Na-2H]- 296.10165 168.3
[M]+ 275.12643 164.3
[M]- 275.12753 164.3
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

No patent data available for this compound.