CID 3076555

Brn 3640406

Structural Information

Molecular Formula
C24H24ClN5O4
SMILES
CC(C(C1=CC=CC=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H24ClN5O4/c1-15(34-18-11-9-17(25)10-12-18)20(16-7-5-4-6-8-16)27-19(31)13-30-14-26-22-21(30)23(32)29(3)24(33)28(22)2/h4-12,14-15,20H,13H2,1-3H3,(H,27,31)
InChIKey
FWSKJUIKJGUHRC-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenoxy)-1-phenylpropyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.15167 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.15895 212.3
[M+Na]+ 504.14089 221.8
[M-H]- 480.14439 219.2
[M+NH4]+ 499.18549 217.6
[M+K]+ 520.11483 215.3
[M+H-H2O]+ 464.14893 200.6
[M+HCOO]- 526.14987 225.4
[M+CH3COO]- 540.16552 239.6
[M+Na-2H]- 502.12634 211.7
[M]+ 481.15112 220.6
[M]- 481.15222 220.6
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.