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

1682
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.