CID 658575

111442-55-8

Structural Information

Molecular Formula
C19H21N5O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H21N5O4/c1-21-16-15(17(26)22(2)19(21)27)24(12-14(25)13-6-4-3-5-7-13)18(20-16)23-8-10-28-11-9-23/h3-7H,8-12H2,1-2H3
InChIKey
PHONRONVRAWODB-UHFFFAOYSA-N
Compound name
1,3-dimethyl-8-morpholin-4-yl-7-phenacylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.15936 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.166636 192.5
[M+Na]+ 406.148578 202.7
[M-H]- 382.152084 198.1
[M+NH4]+ 401.193183 198.4
[M+K]+ 422.122518 197.6
[M+H-H2O]+ 366.156620 180.5
[M+HCOO]- 428.157561 206.1
[M+CH3COO]- 442.173211 201.5
[M+Na-2H]- 404.134026 192.5
[M]+ 383.15881142 195.4
[M]- 383.15990858 195.4
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.