CID 5256130

64487-94-1

Structural Information

Molecular Formula
C24H28N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+](C)(C)CCOC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N5O3/c1-27-21-19(22(30)28(2)24(27)31)25-23(26-21)29(3,4)15-16-32-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,20H,15-16H2,1-4H3/p+1
InChIKey
NDLAELDZJPCANE-UHFFFAOYSA-O
Compound name
2-benzhydryloxyethyl-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.2192 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.22648 202.1
[M+Na]+ 457.20842 219.2
[M+NH4]+ 452.25302 208.0
[M+K]+ 473.18236 214.8
[M-H]- 433.21192 207.7
[M+Na-2H]- 455.19387 211.6
[M]+ 434.21865 206.5
[M]- 434.21975 206.5
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.