CID 3088366

Mx8257

Structural Information

Molecular Formula
C19H26N6O2
SMILES
CCCN1C(=O)C2=C(N=NN2CCN(CC)CC)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C19H26N6O2/c1-4-12-23-18(26)16-17(20-21-24(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
VVQFAKMRVYKCRD-UHFFFAOYSA-N
Compound name
1-[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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21901 191.7
[M+Na]+ 393.20095 202.3
[M-H]- 369.20445 195.1
[M+NH4]+ 388.24555 200.8
[M+K]+ 409.17489 196.4
[M+H-H2O]+ 353.20899 179.9
[M+HCOO]- 415.20993 211.5
[M+CH3COO]- 429.22558 224.5
[M+Na-2H]- 391.18640 194.3
[M]+ 370.21118 199.6
[M]- 370.21228 199.6
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