CID 3088367

Mx82103

Structural Information

Molecular Formula
C20H26N6O2
SMILES
CCCN1C(=O)C2=C(N=NN2CCN3CCCCC3)N(C1=O)C4=CC=CC=C4
InChI
InChI=1S/C20H26N6O2/c1-2-11-24-19(27)17-18(26(20(24)28)16-9-5-3-6-10-16)21-22-25(17)15-14-23-12-7-4-8-13-23/h3,5-6,9-10H,2,4,7-8,11-15H2,1H3
InChIKey
LXTMSERNFXPMFU-UHFFFAOYSA-N
Compound name
4-phenyl-1-(2-piperidin-1-ylethyl)-6-propyltriazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

382.21173 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21901 196.3
[M+Na]+ 405.20095 205.4
[M-H]- 381.20445 199.0
[M+NH4]+ 400.24555 202.2
[M+K]+ 421.17489 197.4
[M+H-H2O]+ 365.20899 182.8
[M+HCOO]- 427.20993 209.5
[M+CH3COO]- 441.22558 203.9
[M+Na-2H]- 403.18640 197.0
[M]+ 382.21118 197.3
[M]- 382.21228 197.3
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