CID 71258

Moxiraprine

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

3
References

253
Patents

314.1743 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.181576 177.2
[M+Na]+ 337.163518 182.2
[M-H]- 313.167024 181.3
[M+NH4]+ 332.208123 184.6
[M+K]+ 353.137458 177.8
[M+H-H2O]+ 297.171560 165.5
[M+HCOO]- 359.172501 192.4
[M+CH3COO]- 373.188151 185.6
[M+Na-2H]- 335.148966 181.5
[M]+ 314.17375142 173.8
[M]- 314.17484858 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

literature stripe

Patent stripe

patents stripe