CID 3054136

Brn 0592593

Structural Information

Molecular Formula
C19H23N5O6
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C19H23N5O6/c1-22-16-14(18(26)23(2)19(22)27)24(10-21-16)7-6-20-17(25)11-8-12(28-3)15(30-5)13(9-11)29-4/h8-10H,6-7H2,1-5H3,(H,20,25)
InChIKey
LZTLYGNBVDUTPS-UHFFFAOYSA-N
Compound name
N-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

417.16483 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.17211 197.4
[M+Na]+ 440.15405 209.2
[M-H]- 416.15755 202.2
[M+NH4]+ 435.19865 205.6
[M+K]+ 456.12799 205.6
[M+H-H2O]+ 400.16209 187.2
[M+HCOO]- 462.16303 217.8
[M+CH3COO]- 476.17868 231.0
[M+Na-2H]- 438.13950 198.2
[M]+ 417.16428 209.0
[M]- 417.16538 209.0
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

patents stripe