CID 3062554

98402-31-4

Structural Information

Molecular Formula
C17H26N6O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=NCCCCC3)O
InChI
InChI=1S/C17H26N6O3/c1-20(13-7-5-4-6-8-18-13)9-12(24)10-23-11-19-15-14(23)16(25)22(3)17(26)21(15)2/h11-12,24H,4-10H2,1-3H3
InChIKey
SLGMLVKARYRNSL-UHFFFAOYSA-N
Compound name
7-[2-hydroxy-3-[methyl(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]propyl]-1,3-dimethylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.20663 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21391 184.1
[M+Na]+ 385.19585 193.5
[M+NH4]+ 380.24045 187.2
[M+K]+ 401.16979 192.6
[M-H]- 361.19935 183.9
[M+Na-2H]- 383.18130 187.3
[M]+ 362.20608 185.0
[M]- 362.20718 185.0
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.