CID 11253855

Chembl232679

Structural Information

Molecular Formula
C10H14N5O
SMILES
C[N+]1=CN(C2=C(N=CN=C21)NOC)CC=C
InChI
InChI=1S/C10H14N5O/c1-4-5-15-7-14(2)10-8(15)9(13-16-3)11-6-12-10/h4,6-7H,1,5H2,2-3H3,(H,11,12,13)/q+1
InChIKey
WEEGKJXXWYUHOR-UHFFFAOYSA-N
Compound name
N-methoxy-9-methyl-7-prop-2-enylpurin-9-ium-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.11984 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12712 148.0
[M+Na]+ 243.10906 159.3
[M-H]- 219.11256 148.6
[M+NH4]+ 238.15366 164.0
[M+K]+ 259.08300 150.1
[M+H-H2O]+ 203.11710 141.9
[M+HCOO]- 265.11804 170.1
[M+CH3COO]- 279.13369 185.3
[M+Na-2H]- 241.09451 158.1
[M]+ 220.11929 151.0
[M]- 220.12039 151.0
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.