CID 1084961

476481-38-6

Structural Information

Molecular Formula
C19H21N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H21N5O3/c1-21-16-15(17(26)22(2)19(21)27)24(18(20-16)23-10-6-7-11-23)12-14(25)13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3
InChIKey
OXZNHKYPTONGBT-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-phenacyl-8-pyrrolidin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.16443 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 187.3
[M+Na]+ 390.15365 198.2
[M-H]- 366.15715 193.3
[M+NH4]+ 385.19825 197.5
[M+K]+ 406.12759 192.2
[M+H-H2O]+ 350.16169 176.6
[M+HCOO]- 412.16263 204.2
[M+CH3COO]- 426.17828 197.4
[M+Na-2H]- 388.13910 185.1
[M]+ 367.16388 190.7
[M]- 367.16498 190.7
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.