CID 3088373

Mx82106

Structural Information

Molecular Formula
C19H24N6O3
SMILES
CCCN1C(=O)C2=NN(N=C2N(C1=O)C3=CC=CC=C3)CCN4CCOCC4
InChI
InChI=1S/C19H24N6O3/c1-2-8-23-18(26)16-17(25(19(23)27)15-6-4-3-5-7-15)21-24(20-16)10-9-22-11-13-28-14-12-22/h3-7H,2,8-14H2,1H3
InChIKey
YDDFPHUENCSDKS-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-4-phenyl-6-propyltriazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.19098 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19826 195.4
[M+Na]+ 407.18020 205.0
[M-H]- 383.18370 199.0
[M+NH4]+ 402.22480 199.9
[M+K]+ 423.15414 198.8
[M+H-H2O]+ 367.18824 182.1
[M+HCOO]- 429.18918 208.2
[M+CH3COO]- 443.20483 203.3
[M+Na-2H]- 405.16565 196.6
[M]+ 384.19043 198.0
[M]- 384.19153 198.0
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