CID 3046578

62401-89-2

Structural Information

Molecular Formula
C19H25N5O4
SMILES
CC(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)NCC(C3=CC=C(C=C3)O)O
InChI
InChI=1S/C19H25N5O4/c1-12(20-10-15(26)13-4-6-14(25)7-5-13)8-9-24-11-21-17-16(24)18(27)23(3)19(28)22(17)2/h4-7,11-12,15,20,25-26H,8-10H2,1-3H3
InChIKey
SYGFPBTXRCCAFS-UHFFFAOYSA-N
Compound name
7-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.19064 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.19792 192.8
[M+Na]+ 410.17986 204.7
[M+NH4]+ 405.22446 195.8
[M+K]+ 426.15380 202.5
[M-H]- 386.18336 192.6
[M+Na-2H]- 408.16531 195.9
[M]+ 387.19009 194.0
[M]- 387.19119 194.0
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.