CID 11710166

512165-96-7

Structural Information

Molecular Formula
C18H16ClN3O3
SMILES
COC(=O)NC1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16ClN3O3/c1-24-18(23)20-16-5-3-2-4-13(16)12-25-17-10-11-22(21-17)15-8-6-14(19)7-9-15/h2-11H,12H2,1H3,(H,20,23)
InChIKey
SEUOYURJKYLAPC-UHFFFAOYSA-N
Compound name
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

357.088 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09528 181.3
[M+Na]+ 380.07722 189.6
[M-H]- 356.08072 188.9
[M+NH4]+ 375.12182 193.4
[M+K]+ 396.05116 184.1
[M+H-H2O]+ 340.08526 171.3
[M+HCOO]- 402.08620 199.9
[M+CH3COO]- 416.10185 212.0
[M+Na-2H]- 378.06267 183.8
[M]+ 357.08745 186.4
[M]- 357.08855 186.4
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.