CID 3063381

N-cyano-n'-methyl-n''-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)guanidine

Structural Information

Molecular Formula
C10H14N6O
SMILES
CN=C(NCC1C2=C(CCO1)NC=N2)NC#N
InChI
InChI=1S/C10H14N6O/c1-12-10(14-5-11)13-4-8-9-7(2-3-17-8)15-6-16-9/h6,8H,2-4H2,1H3,(H,15,16)(H2,12,13,14)
InChIKey
UIYYZJSRLIZFMR-UHFFFAOYSA-N
Compound name
1-cyano-2-methyl-3-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.12291 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13019 161.0
[M+Na]+ 257.11213 168.1
[M+NH4]+ 252.15673 163.7
[M+K]+ 273.08607 161.8
[M-H]- 233.11563 155.6
[M+Na-2H]- 255.09758 160.6
[M]+ 234.12236 159.1
[M]- 234.12346 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.