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 150.6
[M+Na]+ 257.11213 157.1
[M-H]- 233.11563 151.0
[M+NH4]+ 252.15673 164.0
[M+K]+ 273.08607 154.6
[M+H-H2O]+ 217.12017 135.0
[M+HCOO]- 279.12111 167.6
[M+CH3COO]- 293.13676 206.2
[M+Na-2H]- 255.09758 156.4
[M]+ 234.12236 142.1
[M]- 234.12346 142.1
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.