CID 4201

Minoxidil

Structural Information

Molecular Formula
C9H15N5O
SMILES
C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O
InChI
InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2
InChIKey
ZIMGGGWCDYVHOY-UHFFFAOYSA-N
Compound name
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2064
References

25612
Patents

209.12766 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.13494 145.9
[M+Na]+ 232.11688 156.6
[M+NH4]+ 227.16148 152.2
[M+K]+ 248.09082 151.8
[M-H]- 208.12038 148.1
[M+Na-2H]- 230.10233 151.8
[M]+ 209.12711 147.6
[M]- 209.12821 147.6
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