CID 516115

Chembl51665

Structural Information

Molecular Formula
C14H14Cl2N6O2
SMILES
C1=C(C=C(C=C1Cl)Cl)NC2=NC(=C3C(=N2)N(C=N3)COCCO)N
InChI
InChI=1S/C14H14Cl2N6O2/c15-8-3-9(16)5-10(4-8)19-14-20-12(17)11-13(21-14)22(6-18-11)7-24-2-1-23/h3-6,23H,1-2,7H2,(H3,17,19,20,21)
InChIKey
GVLBCXOLVYKVJV-UHFFFAOYSA-N
Compound name
2-[[6-amino-2-(3,5-dichloroanilino)purin-9-yl]methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

368.05554 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.06282 178.9
[M+Na]+ 391.04476 190.5
[M-H]- 367.04826 180.1
[M+NH4]+ 386.08936 189.1
[M+K]+ 407.01870 183.1
[M+H-H2O]+ 351.05280 169.5
[M+HCOO]- 413.05374 190.2
[M+CH3COO]- 427.06939 188.5
[M+Na-2H]- 389.03021 183.2
[M]+ 368.05499 184.6
[M]- 368.05609 184.6
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.