CID 163768

N'-(4-((6-chloro-5-(1,1-dimethylethyl)-3-pyridazinyl)oxy)phenyl)-n,n-dimethylurea

Structural Information

Molecular Formula
C17H21ClN4O2
SMILES
CC(C)(C)C1=CC(=NN=C1Cl)OC2=CC=C(C=C2)NC(=O)N(C)C
InChI
InChI=1S/C17H21ClN4O2/c1-17(2,3)13-10-14(20-21-15(13)18)24-12-8-6-11(7-9-12)19-16(23)22(4)5/h6-10H,1-5H3,(H,19,23)
InChIKey
NKTQNZHZRDUFDU-UHFFFAOYSA-N
Compound name
3-[4-(5-tert-butyl-6-chloropyridazin-3-yl)oxyphenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.1353 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14258 182.9
[M+Na]+ 371.12452 190.5
[M-H]- 347.12802 188.7
[M+NH4]+ 366.16912 194.7
[M+K]+ 387.09846 186.9
[M+H-H2O]+ 331.13256 173.9
[M+HCOO]- 393.13350 199.6
[M+CH3COO]- 407.14915 219.3
[M+Na-2H]- 369.10997 186.8
[M]+ 348.13475 188.1
[M]- 348.13585 188.1
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