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 182.2
[M-H]- 313.16702 181.3
[M+NH4]+ 332.20812 184.6
[M+K]+ 353.13746 177.8
[M+H-H2O]+ 297.17156 165.5
[M+HCOO]- 359.17250 192.4
[M+CH3COO]- 373.18815 185.6
[M+Na-2H]- 335.14897 181.5
[M]+ 314.17375 173.8
[M]- 314.17485 173.8
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

patents stripe