CID 163713

Phenyl (6-chloro-5-(1,1-dimethylethyl)-3-pyridazinyl)carbamate

Structural Information

Molecular Formula
C15H16ClN3O2
SMILES
CC(C)(C)C1=CC(=NN=C1Cl)NC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C15H16ClN3O2/c1-15(2,3)11-9-12(18-19-13(11)16)17-14(20)21-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,17,18,20)
InChIKey
VDHBFPHFXXGEKA-UHFFFAOYSA-N
Compound name
phenyl N-(5-tert-butyl-6-chloropyridazin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

305.0931 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10038 170.1
[M+Na]+ 328.08232 178.4
[M-H]- 304.08582 174.4
[M+NH4]+ 323.12692 183.0
[M+K]+ 344.05626 173.7
[M+H-H2O]+ 288.09036 161.6
[M+HCOO]- 350.09130 185.9
[M+CH3COO]- 364.10695 203.7
[M+Na-2H]- 326.06777 175.9
[M]+ 305.09255 173.5
[M]- 305.09365 173.5
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

patents stripe