CID 64775

Dtxsid601003259

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-hydroxy-4-pyridinylidene)guanidine
Related CIDs

2D Structure

compound 2d structure
3
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]+ 262.166246 168.2
[M+Na]+ 284.148188 174.6
[M-H]- 260.151694 170.7
[M+NH4]+ 279.192793 181.6
[M+K]+ 300.122128 173.3
[M+H-H2O]+ 244.156230 153.5
[M+HCOO]- 306.157171 187.5
[M+CH3COO]- 320.172821 214.9
[M+Na-2H]- 282.133636 171.9
[M]+ 261.15842142 162.2
[M]- 261.15951858 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.