CID 1124813

332904-76-4

Structural Information

Molecular Formula
C19H24N6O2
SMILES
CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCNCC4)N(C(=O)N(C3=O)C)C
InChI
InChI=1S/C19H24N6O2/c1-13-4-6-14(7-5-13)12-25-15-16(22(2)19(27)23(3)17(15)26)21-18(25)24-10-8-20-9-11-24/h4-7,20H,8-12H2,1-3H3
InChIKey
NMRONBQQOFJQMI-UHFFFAOYSA-N
Compound name
1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-piperazin-1-ylpurine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

368.19608 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20336 191.4
[M+Na]+ 391.18530 207.0
[M+NH4]+ 386.22990 196.0
[M+K]+ 407.15924 202.0
[M-H]- 367.18880 193.6
[M+Na-2H]- 389.17075 197.0
[M]+ 368.19553 194.1
[M]- 368.19663 194.1
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

patents stripe