CID 64775

Pinacidil pyridine n-oxide

Structural Information

Molecular Formula
C13H19N5O
SMILES
CC(C(C)(C)C)N=C(NC#N)N=C1C=CN(C=C1)O
InChI
InChI=1S/C13H19N5O/c1-10(13(2,3)4)16-12(15-9-14)17-11-5-7-18(19)8-6-11/h5-8,10,19H,1-4H3,(H,15,16)
InChIKey
DQRXZTGBHIYUGA-UHFFFAOYSA-N
Compound name
1-cyano-2-(3,3-dimethylbutan-2-yl)-3-(1-hydroxypyridin-4-ylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

0
Patents

261.15897 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16625 166.7
[M+Na]+ 284.14819 174.7
[M+NH4]+ 279.19279 168.9
[M+K]+ 300.12213 167.1
[M-H]- 260.15169 160.7
[M+Na-2H]- 282.13364 168.6
[M]+ 261.15842 164.9
[M]- 261.15952 164.9
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

No patent data available for this compound.