CID 15271577

1-phthalazinecarboxamide

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC=C2C(=C1)C=NN=C2C(=O)N
InChI
InChI=1S/C9H7N3O/c10-9(13)8-7-4-2-1-3-6(7)5-11-12-8/h1-5H,(H2,10,13)
InChIKey
ZPKLKCZILZRALT-UHFFFAOYSA-N
Compound name
phthalazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

173.05891 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 133.8
[M+Na]+ 196.04813 142.8
[M-H]- 172.05163 135.5
[M+NH4]+ 191.09273 151.8
[M+K]+ 212.02207 139.7
[M+H-H2O]+ 156.05617 126.2
[M+HCOO]- 218.05711 155.5
[M+CH3COO]- 232.07276 181.5
[M+Na-2H]- 194.03358 143.0
[M]+ 173.05836 132.3
[M]- 173.05946 132.3
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