CID 338880

Nsc363257

Structural Information

Molecular Formula
C12H14N4O3
SMILES
CCN(CC)C1=C(C(=O)N=C2N1C=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H14N4O3/c1-3-14(4-2)12-10(16(18)19)11(17)13-9-7-5-6-8-15(9)12/h5-8H,3-4H2,1-2H3
InChIKey
WERWVIDEDDWKQX-UHFFFAOYSA-N
Compound name
4-(diethylamino)-3-nitropyrido[1,2-a]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1066 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.11388 155.1
[M+Na]+ 285.09582 163.1
[M-H]- 261.09932 158.8
[M+NH4]+ 280.14042 169.8
[M+K]+ 301.06976 156.9
[M+H-H2O]+ 245.10386 151.0
[M+HCOO]- 307.10480 178.8
[M+CH3COO]- 321.12045 197.5
[M+Na-2H]- 283.08127 164.3
[M]+ 262.10605 156.8
[M]- 262.10715 156.8
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.