CID 3088371

Mx8258

Structural Information

Molecular Formula
C19H26N6O2
SMILES
CCCN1C(=O)C2=NN(N=C2N(C1=O)C3=CC=CC=C3)CCN(CC)CC
InChI
InChI=1S/C19H26N6O2/c1-4-12-23-18(26)16-17(21-24(20-16)14-13-22(5-2)6-3)25(19(23)27)15-10-8-7-9-11-15/h7-11H,4-6,12-14H2,1-3H3
InChIKey
LBCOPKMMLSWLGG-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl]-4-phenyl-6-propyltriazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

370.21173 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21901 189.3
[M+Na]+ 393.20095 203.6
[M+NH4]+ 388.24555 193.7
[M+K]+ 409.17489 198.5
[M-H]- 369.20445 190.8
[M+Na-2H]- 391.18640 195.2
[M]+ 370.21118 191.6
[M]- 370.21228 191.6
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

patents stripe