CID 3088365

Mx82108

Structural Information

Molecular Formula
C15H26N6O2
SMILES
CCC(C)CN1C2=C(C(=O)NC1=O)N(N=N2)CCN(CC)CC
InChI
InChI=1S/C15H26N6O2/c1-5-11(4)10-20-13-12(14(22)16-15(20)23)21(18-17-13)9-8-19(6-2)7-3/h11H,5-10H2,1-4H3,(H,16,22,23)
InChIKey
UGUYJDCWNSTCTG-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-4-(2-methylbutyl)triazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

322.21173 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21901 179.0
[M+Na]+ 345.20095 188.7
[M-H]- 321.20445 177.9
[M+NH4]+ 340.24555 189.8
[M+K]+ 361.17489 184.4
[M+H-H2O]+ 305.20899 169.2
[M+HCOO]- 367.20993 196.6
[M+CH3COO]- 381.22558 214.3
[M+Na-2H]- 343.18640 180.7
[M]+ 322.21118 185.5
[M]- 322.21228 185.5
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