CID 367822

Nsc637897

Structural Information

Molecular Formula
C16H22N4O3
SMILES
CCCCN(CCCC)C1=C(C(=O)N=C2N1C=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H22N4O3/c1-3-5-10-18(11-6-4-2)16-14(20(22)23)15(21)17-13-9-7-8-12-19(13)16/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey
ZTZVCEXSDXCNBU-UHFFFAOYSA-N
Compound name
4-(dibutylamino)-3-nitropyrido[1,2-a]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.1692 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.17648 174.3
[M+Na]+ 341.15842 180.4
[M-H]- 317.16192 177.2
[M+NH4]+ 336.20302 186.7
[M+K]+ 357.13236 173.3
[M+H-H2O]+ 301.16646 169.3
[M+HCOO]- 363.16740 196.5
[M+CH3COO]- 377.18305 209.5
[M+Na-2H]- 339.14387 181.3
[M]+ 318.16865 177.3
[M]- 318.16975 177.3
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

No patent data available for this compound.