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

16
Patents

257.1528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16008 160.9
[M+Na]+ 280.14202 167.6
[M-H]- 256.14552 163.3
[M+NH4]+ 275.18662 174.1
[M+K]+ 296.11596 162.5
[M+H-H2O]+ 240.15006 151.5
[M+HCOO]- 302.15100 182.0
[M+CH3COO]- 316.16665 197.0
[M+Na-2H]- 278.12747 167.1
[M]+ 257.15225 160.9
[M]- 257.15335 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