CID 5274414

9-methyl-1-(o-tolylmethoxy)purin-6-imine

Structural Information

Molecular Formula
C14H16N5O
SMILES
CC1=CC=CC=C1CO[N+]2=C(C3=C(N=C2)N(C=N3)C)N
InChI
InChI=1S/C14H15N5O/c1-10-5-3-4-6-11(10)7-20-19-9-17-14-12(13(19)15)16-8-18(14)2/h3-6,8-9,15H,7H2,1-2H3/p+1
InChIKey
YAOVXXITGYHGRK-UHFFFAOYSA-O
Compound name
9-methyl-1-[(2-methylphenyl)methoxy]purin-1-ium-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

270.1355 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14278 163.3
[M+Na]+ 293.12472 174.7
[M-H]- 269.12822 167.0
[M+NH4]+ 288.16932 176.8
[M+K]+ 309.09866 163.8
[M+H-H2O]+ 253.13276 156.0
[M+HCOO]- 315.13370 184.5
[M+CH3COO]- 329.14935 194.6
[M+Na-2H]- 291.11017 171.8
[M]+ 270.13495 165.4
[M]- 270.13605 165.4
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.