CID 207639

Sep 354

Structural Information

Molecular Formula
C17H21N3O
SMILES
CC1=CC(=NN(C1=O)CCN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3O/c1-14-13-16(15-7-3-2-4-8-15)18-20(17(14)21)12-11-19-9-5-6-10-19/h2-4,7-8,13H,5-6,9-12H2,1H3
InChIKey
VUJYFHYERUBNSU-UHFFFAOYSA-N
Compound name
4-methyl-6-phenyl-2-(2-pyrrolidin-1-ylethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 167.7
[M+Na]+ 306.15768 175.2
[M-H]- 282.16118 173.2
[M+NH4]+ 301.20228 180.9
[M+K]+ 322.13162 169.8
[M+H-H2O]+ 266.16572 157.0
[M+HCOO]- 328.16666 186.6
[M+CH3COO]- 342.18231 178.4
[M+Na-2H]- 304.14313 169.3
[M]+ 283.16791 166.4
[M]- 283.16901 166.4
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.