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

6
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

literature stripe

Patent stripe

patents stripe