CID 512292

Iso-olomoucine

Structural Information

Molecular Formula
C15H18N6O
SMILES
CN1C=NC2=C1C(=NC(=N2)NCCO)NCC3=CC=CC=C3
InChI
InChI=1S/C15H18N6O/c1-21-10-18-14-12(21)13(19-15(20-14)16-7-8-22)17-9-11-5-3-2-4-6-11/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)
InChIKey
WOQKMUDQRKXVLO-UHFFFAOYSA-N
Compound name
2-[[6-(benzylamino)-7-methylpurin-2-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

163
Patents

298.1542 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16148 167.3
[M+Na]+ 321.14342 176.4
[M-H]- 297.14692 169.3
[M+NH4]+ 316.18802 178.9
[M+K]+ 337.11736 170.2
[M+H-H2O]+ 281.15146 156.9
[M+HCOO]- 343.15240 188.8
[M+CH3COO]- 357.16805 177.7
[M+Na-2H]- 319.12887 175.1
[M]+ 298.15365 169.3
[M]- 298.15475 169.3
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

patents stripe