CID 1124816

332904-79-7

Structural Information

Molecular Formula
C19H23N5O3
SMILES
CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCOCC4)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C19H23N5O3/c1-13-4-6-14(7-5-13)12-24-15-16(21(2)19(26)22(3)17(15)25)20-18(24)23-8-10-27-11-9-23/h4-7H,8-12H2,1-3H3
InChIKey
ABXRMTYFDBXGKM-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-morpholin-4-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.18008 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18736 192.8
[M+Na]+ 392.16930 204.3
[M-H]- 368.17280 198.6
[M+NH4]+ 387.21390 200.0
[M+K]+ 408.14324 198.5
[M+H-H2O]+ 352.17734 180.9
[M+HCOO]- 414.17828 207.1
[M+CH3COO]- 428.19393 202.3
[M+Na-2H]- 390.15475 192.7
[M]+ 369.17953 196.0
[M]- 369.18063 196.0
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.