CID 204866

Brn 0843468

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]+ 350.18630 184.3
[M+Na]+ 372.16824 189.4
[M-H]- 348.17174 190.8
[M+NH4]+ 367.21284 193.3
[M+K]+ 388.14218 184.3
[M+H-H2O]+ 332.17628 172.7
[M+HCOO]- 394.17722 204.3
[M+CH3COO]- 408.19287 216.5
[M+Na-2H]- 370.15369 188.0
[M]+ 349.17847 184.9
[M]- 349.17957 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.