CID 72119

Sr 95191

Structural Information

Molecular Formula
C17H19N5O
SMILES
C1COCCN1CCNC2=NN=C(C=C2C#N)C3=CC=CC=C3
InChI
InChI=1S/C17H19N5O/c18-13-15-12-16(14-4-2-1-3-5-14)20-21-17(15)19-6-7-22-8-10-23-11-9-22/h1-5,12H,6-11H2,(H,19,21)
InChIKey
KRNDIPHOJLIHRI-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

1318
Patents

309.15897 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.16625 169.7
[M+Na]+ 332.14819 176.2
[M-H]- 308.15169 171.9
[M+NH4]+ 327.19279 176.2
[M+K]+ 348.12213 170.4
[M+H-H2O]+ 292.15623 151.0
[M+HCOO]- 354.15717 182.5
[M+CH3COO]- 368.17282 176.8
[M+Na-2H]- 330.13364 174.5
[M]+ 309.15842 160.9
[M]- 309.15952 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

No patent data available for this compound.