CID 6410667

Sr 95082

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC(=CC=C3)O
InChI
InChI=1S/C17H22N4O2/c1-13-11-16(14-3-2-4-15(22)12-14)19-20-17(13)18-5-6-21-7-9-23-10-8-21/h2-4,11-12,22H,5-10H2,1H3,(H,18,20)
InChIKey
JSEAYSBUVCKTJQ-UHFFFAOYSA-N
Compound name
3-[5-methyl-6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

314.1743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 177.2
[M+Na]+ 337.16352 190.8
[M+NH4]+ 332.20812 183.6
[M+K]+ 353.13746 183.8
[M-H]- 313.16702 183.1
[M+Na-2H]- 335.14897 185.0
[M]+ 314.17375 180.7
[M]- 314.17485 180.7
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