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 161.0
[M+Na]+ 298.11620 170.6
[M-H]- 274.11970 167.8
[M+NH4]+ 293.16080 177.2
[M+K]+ 314.09014 169.0
[M+H-H2O]+ 258.12424 152.6
[M+HCOO]- 320.12518 185.2
[M+CH3COO]- 334.14083 204.4
[M+Na-2H]- 296.10165 162.4
[M]+ 275.12643 166.2
[M]- 275.12753 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.