CID 23013854

Cyclopyrimorate

Structural Information

Molecular Formula
C19H20ClN3O4
SMILES
CC1=C(C(=CC=C1)C2CC2)OC3=NN=C(C=C3OC(=O)N4CCOCC4)Cl
InChI
InChI=1S/C19H20ClN3O4/c1-12-3-2-4-14(13-5-6-13)17(12)27-18-15(11-16(20)21-22-18)26-19(24)23-7-9-25-10-8-23/h2-4,11,13H,5-10H2,1H3
InChIKey
BXIGJZDQFDFASM-UHFFFAOYSA-N
Compound name
[6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4562
Patents

389.11423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12151 195.4
[M+Na]+ 412.10345 203.6
[M-H]- 388.10695 204.0
[M+NH4]+ 407.14805 197.2
[M+K]+ 428.07739 199.0
[M+H-H2O]+ 372.11149 183.7
[M+HCOO]- 434.11243 206.1
[M+CH3COO]- 448.12808 203.3
[M+Na-2H]- 410.08890 195.8
[M]+ 389.11368 199.7
[M]- 389.11478 199.7
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