CID 3010193

115204-67-6

Structural Information

Molecular Formula
C18H16ClN5
SMILES
CN(C)C1=NC(=NC2=C1N=CN2CC3=CC4=CC=CC=C4C=C3)Cl
InChI
InChI=1S/C18H16ClN5/c1-23(2)16-15-17(22-18(19)21-16)24(11-20-15)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11H,10H2,1-2H3
InChIKey
JGBMKGWTRWWYDD-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethyl-9-(naphthalen-2-ylmethyl)purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.10944 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11672 179.5
[M+Na]+ 360.09866 191.5
[M-H]- 336.10216 184.6
[M+NH4]+ 355.14326 192.8
[M+K]+ 376.07260 184.0
[M+H-H2O]+ 320.10670 168.2
[M+HCOO]- 382.10764 195.2
[M+CH3COO]- 396.12329 190.5
[M+Na-2H]- 358.08411 185.5
[M]+ 337.10889 185.6
[M]- 337.10999 185.6
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.