CID 72119

Bazinaprine

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
2
Annotation Hits

6
References

1147
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

literature stripe

Patent stripe

patents stripe