CID 71890

Picodralazine

Structural Information

Molecular Formula
C14H13N5
SMILES
C1=CC=C2C(=C1)C(=NN=C2NN)CC3=CC=NC=C3
InChI
InChI=1S/C14H13N5/c15-17-14-12-4-2-1-3-11(12)13(18-19-14)9-10-5-7-16-8-6-10/h1-8H,9,15H2,(H,17,19)
InChIKey
KCASCYQNVLPVDP-UHFFFAOYSA-N
Compound name
[4-(pyridin-4-ylmethyl)phthalazin-1-yl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

58
Patents

251.1171 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12438 155.8
[M+Na]+ 274.10632 164.2
[M-H]- 250.10982 159.1
[M+NH4]+ 269.15092 168.8
[M+K]+ 290.08026 158.1
[M+H-H2O]+ 234.11436 145.5
[M+HCOO]- 296.11530 177.4
[M+CH3COO]- 310.13095 166.8
[M+Na-2H]- 272.09177 166.1
[M]+ 251.11655 153.7
[M]- 251.11765 153.7
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.