CID 439786

Heteropyrithiamine

Structural Information

Molecular Formula
C11H13N4
SMILES
CC1=NC=C(C(=N1)N)C[N+]2=CC=CC=C2
InChI
InChI=1S/C11H13N4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15/h2-7H,8H2,1H3,(H2,12,13,14)/q+1
InChIKey
SPQICHFDXHERAC-UHFFFAOYSA-N
Compound name
2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

201.11403 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.12131 141.6
[M+Na]+ 224.10325 158.8
[M+NH4]+ 219.14785 150.8
[M+K]+ 240.07719 152.1
[M-H]- 200.10675 147.2
[M+Na-2H]- 222.08870 152.7
[M]+ 201.11348 146.1
[M]- 201.11458 146.1
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.