CID 207641

Sep 368

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC1=CC(=NN(C1=O)CCCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C16H21N3O/c1-13-12-15(14-8-5-4-6-9-14)17-19(16(13)20)11-7-10-18(2)3/h4-6,8-9,12H,7,10-11H2,1-3H3
InChIKey
WLFUVQGLPAQMEN-UHFFFAOYSA-N
Compound name
2-[3-(dimethylamino)propyl]-4-methyl-6-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 164.6
[M+Na]+ 294.15768 172.7
[M-H]- 270.16118 170.1
[M+NH4]+ 289.20228 178.8
[M+K]+ 310.13162 169.0
[M+H-H2O]+ 254.16572 154.8
[M+HCOO]- 316.16666 187.5
[M+CH3COO]- 330.18231 206.3
[M+Na-2H]- 292.14313 169.2
[M]+ 271.16791 167.8
[M]- 271.16901 167.8
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.