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
4
Annotation Hits

2078
References

34656
Patents

209.12766 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.134936 147.8
[M+Na]+ 232.116878 154.6
[M-H]- 208.120384 148.7
[M+NH4]+ 227.161483 161.0
[M+K]+ 248.090818 150.3
[M+H-H2O]+ 192.124920 138.8
[M+HCOO]- 254.125861 165.8
[M+CH3COO]- 268.141511 188.0
[M+Na-2H]- 230.102326 152.7
[M]+ 209.12711142 140.1
[M]- 209.12820858 140.1
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