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]+ 272.175736 164.6
[M+Na]+ 294.157678 172.7
[M-H]- 270.161184 170.1
[M+NH4]+ 289.202283 178.8
[M+K]+ 310.131618 169.0
[M+H-H2O]+ 254.165720 154.8
[M+HCOO]- 316.166661 187.5
[M+CH3COO]- 330.182311 206.3
[M+Na-2H]- 292.143126 169.2
[M]+ 271.16791142 167.8
[M]- 271.16900858 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.