CID 3069979

1h-imidazo(2,1-f)purine-2,4(3h,8h)-dione, 8-butyl-1-methyl-7-phenyl-6-(piperidinomethyl)-, monohydrobromide

Structural Information

Molecular Formula
C24H30N6O2
SMILES
CCCCN1C(=C(N2C1=NC3=C2C(=O)NC(=O)N3C)CN4CCCCC4)C5=CC=CC=C5
InChI
InChI=1S/C24H30N6O2/c1-3-4-15-29-19(17-11-7-5-8-12-17)18(16-28-13-9-6-10-14-28)30-20-21(25-23(29)30)27(2)24(32)26-22(20)31/h5,7-8,11-12H,3-4,6,9-10,13-16H2,1-2H3,(H,26,31,32)
InChIKey
ZFQRFZXUPINCLJ-UHFFFAOYSA-N
Compound name
6-butyl-4-methyl-7-phenyl-8-(piperidin-1-ylmethyl)purino[7,8-a]imidazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.243 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.25028 210.5
[M+Na]+ 457.23222 220.9
[M-H]- 433.23572 214.4
[M+NH4]+ 452.27682 217.0
[M+K]+ 473.20616 211.4
[M+H-H2O]+ 417.24026 198.3
[M+HCOO]- 479.24120 222.8
[M+CH3COO]- 493.25685 217.7
[M+Na-2H]- 455.21767 207.5
[M]+ 434.24245 213.0
[M]- 434.24355 213.0
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.