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 168.2
[M+Na]+ 284.14819 174.6
[M-H]- 260.15169 170.7
[M+NH4]+ 279.19279 181.6
[M+K]+ 300.12213 173.3
[M+H-H2O]+ 244.15623 153.5
[M+HCOO]- 306.15717 187.5
[M+CH3COO]- 320.17282 214.9
[M+Na-2H]- 282.13364 171.9
[M]+ 261.15842 162.2
[M]- 261.15952 162.2
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.