CID 3010192

115204-66-5

Structural Information

Molecular Formula
C15H16ClN5
SMILES
CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N(C)C)Cl
InChI
InChI=1S/C15H16ClN5/c1-10-5-4-6-11(7-10)8-21-9-17-12-13(20(2)3)18-15(16)19-14(12)21/h4-7,9H,8H2,1-3H3
InChIKey
FRMCQCCGGBDOPZ-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethyl-9-[(3-methylphenyl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.10944 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.11672 169.9
[M+Na]+ 324.09866 182.0
[M-H]- 300.10216 174.4
[M+NH4]+ 319.14326 184.1
[M+K]+ 340.07260 175.9
[M+H-H2O]+ 284.10670 159.4
[M+HCOO]- 346.10764 187.1
[M+CH3COO]- 360.12329 181.8
[M+Na-2H]- 322.08411 174.8
[M]+ 301.10889 176.3
[M]- 301.10999 176.3
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.