CID 115374

Fencamine

Structural Information

Molecular Formula
C20H28N6O2
SMILES
CC(CC1=CC=CC=C1)N(C)CCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C20H28N6O2/c1-14(13-15-9-7-6-8-10-15)23(2)12-11-21-19-22-17-16(24(19)3)18(27)26(5)20(28)25(17)4/h6-10,14H,11-13H2,1-5H3,(H,21,22)
InChIKey
PDTADBTVZXKSJM-UHFFFAOYSA-N
Compound name
1,3,7-trimethyl-8-[2-[methyl(1-phenylpropan-2-yl)amino]ethylamino]purine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1578
Patents

384.2274 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23468 195.5
[M+Na]+ 407.21662 205.4
[M-H]- 383.22012 200.8
[M+NH4]+ 402.26122 205.4
[M+K]+ 423.19056 200.4
[M+H-H2O]+ 367.22466 184.6
[M+HCOO]- 429.22560 216.5
[M+CH3COO]- 443.24125 232.0
[M+Na-2H]- 405.20207 196.7
[M]+ 384.22685 202.6
[M]- 384.22795 202.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe