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]+ 276.134256 161.0
[M+Na]+ 298.116198 170.6
[M-H]- 274.119704 167.8
[M+NH4]+ 293.160803 177.2
[M+K]+ 314.090138 169.0
[M+H-H2O]+ 258.124240 152.6
[M+HCOO]- 320.125181 185.2
[M+CH3COO]- 334.140831 204.4
[M+Na-2H]- 296.101646 162.4
[M]+ 275.12643142 166.2
[M]- 275.12752858 166.2
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.