CID 3063594

1h-pyrido(2,3-e)-1,4-diazepine-2,3,5(4h)-trione, 4-(1-piperidinylmethyl)-

Structural Information

Molecular Formula
C14H16N4O3
SMILES
C1CCN(CC1)CN2C(=O)C3=C(NC(=O)C2=O)N=CC=C3
InChI
InChI=1S/C14H16N4O3/c19-12-14(21)18(9-17-7-2-1-3-8-17)13(20)10-5-4-6-15-11(10)16-12/h4-6H,1-3,7-9H2,(H,15,16,19)
InChIKey
MPPZYEFAURIOGT-UHFFFAOYSA-N
Compound name
4-(piperidin-1-ylmethyl)-1H-pyrido[2,3-e][1,4]diazepine-2,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.12225 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 165.7
[M+Na]+ 311.11147 174.5
[M-H]- 287.11497 168.3
[M+NH4]+ 306.15607 175.5
[M+K]+ 327.08541 173.4
[M+H-H2O]+ 271.11951 154.8
[M+HCOO]- 333.12045 180.7
[M+CH3COO]- 347.13610 175.3
[M+Na-2H]- 309.09692 170.8
[M]+ 288.12170 161.6
[M]- 288.12280 161.6
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

No patent data available for this compound.