CID 3053086

69517-63-1

Structural Information

Molecular Formula
C18H22N6O4
SMILES
CCN(CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H22N6O4/c1-4-23(16(26)12-6-5-7-19-8-12)9-13(25)10-24-11-20-15-14(24)17(27)22(3)18(28)21(15)2/h5-8,11,13,25H,4,9-10H2,1-3H3
InChIKey
NQFXTVAOAPNOFU-UHFFFAOYSA-N
Compound name
N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]-N-ethylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.17026 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17754 188.4
[M+Na]+ 409.15948 200.8
[M+NH4]+ 404.20408 191.1
[M+K]+ 425.13342 199.1
[M-H]- 385.16298 188.0
[M+Na-2H]- 407.14493 192.7
[M]+ 386.16971 189.6
[M]- 386.17081 189.6
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.