CID 3010183

115204-57-4

Structural Information

Molecular Formula
C17H20ClN5
SMILES
CC(C)C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3N(C)C)Cl
InChI
InChI=1S/C17H20ClN5/c1-11(2)13-7-5-12(6-8-13)9-23-10-19-14-15(22(3)4)20-17(18)21-16(14)23/h5-8,10-11H,9H2,1-4H3
InChIKey
HSZPLSPCJDMNKB-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethyl-9-[(4-propan-2-ylphenyl)methyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.14072 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14800 178.5
[M+Na]+ 352.12994 189.4
[M-H]- 328.13344 182.9
[M+NH4]+ 347.17454 191.5
[M+K]+ 368.10388 183.3
[M+H-H2O]+ 312.13798 167.9
[M+HCOO]- 374.13892 194.1
[M+CH3COO]- 388.15457 189.5
[M+Na-2H]- 350.11539 181.3
[M]+ 329.14017 185.1
[M]- 329.14127 185.1
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.