CID 6410639

Cm 30097

Structural Information

Molecular Formula
C15H19N3O
SMILES
CC1=CC(=NN=C1NCCCCO)C2=CC=CC=C2
InChI
InChI=1S/C15H19N3O/c1-12-11-14(13-7-3-2-4-8-13)17-18-15(12)16-9-5-6-10-19/h2-4,7-8,11,19H,5-6,9-10H2,1H3,(H,16,18)
InChIKey
CQQMVUGBOXBGLR-UHFFFAOYSA-N
Compound name
4-[(4-methyl-6-phenylpyridazin-3-yl)amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

257.1528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.160076 160.9
[M+Na]+ 280.142018 167.6
[M-H]- 256.145524 163.3
[M+NH4]+ 275.186623 174.1
[M+K]+ 296.115958 162.5
[M+H-H2O]+ 240.150060 151.5
[M+HCOO]- 302.151001 182.0
[M+CH3COO]- 316.166651 197.0
[M+Na-2H]- 278.127466 167.1
[M]+ 257.15225142 160.9
[M]- 257.15334858 160.9
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

patents stripe