CID 204866

17072-84-3

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CC(C)OC1=NN(C(=O)C=C1)C(CNC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H23N3O2/c1-16(2)26-20-13-14-21(25)24(23-20)19(17-9-5-3-6-10-17)15-22-18-11-7-4-8-12-18/h3-14,16,19,22H,15H2,1-2H3
InChIKey
JDDILJSEEVEXLY-UHFFFAOYSA-N
Compound name
2-(2-anilino-1-phenylethyl)-6-propan-2-yloxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 184.3
[M+Na]+ 372.168238 189.4
[M-H]- 348.171744 190.8
[M+NH4]+ 367.212843 193.3
[M+K]+ 388.142178 184.3
[M+H-H2O]+ 332.176280 172.7
[M+HCOO]- 394.177221 204.3
[M+CH3COO]- 408.192871 216.5
[M+Na-2H]- 370.153686 188.0
[M]+ 349.17847142 184.9
[M]- 349.17956858 184.9
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.