CID 3079800

126480-54-4

Structural Information

Molecular Formula
C19H24N6O4
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=NCCC3=CC(=C(C=C3)OC)OC)N
InChI
InChI=1S/C19H24N6O4/c1-23-17-16(18(26)24(2)19(23)27)25(11-22-17)10-15(20)21-8-7-12-5-6-13(28-3)14(9-12)29-4/h5-6,9,11H,7-8,10H2,1-4H3,(H2,20,21)
InChIKey
HZMQPTOYOOWVQW-UHFFFAOYSA-N
Compound name
N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1859 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19318 196.6
[M+Na]+ 423.17512 207.8
[M-H]- 399.17862 201.9
[M+NH4]+ 418.21972 205.6
[M+K]+ 439.14906 203.1
[M+H-H2O]+ 383.18316 185.8
[M+HCOO]- 445.18410 218.7
[M+CH3COO]- 459.19975 232.1
[M+Na-2H]- 421.16057 197.9
[M]+ 400.18535 205.3
[M]- 400.18645 205.3
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.