CID 13391408

5h-pyrido(2,3-e)(1,3)diazepine-5,9(8h)-dione, 8-(4-morpholinylmethyl)-

Structural Information

Molecular Formula
C13H14N4O3
SMILES
C1COCCN1CN2C=NC(=O)C3=C(C2=O)N=CC=C3
InChI
InChI=1S/C13H14N4O3/c18-12-10-2-1-3-14-11(10)13(19)17(8-15-12)9-16-4-6-20-7-5-16/h1-3,8H,4-7,9H2
InChIKey
QFMPDNSGBVHSMU-UHFFFAOYSA-N
Compound name
8-(morpholin-4-ylmethyl)pyrido[2,3-e][1,3]diazepine-5,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1066 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.113876 160.2
[M+Na]+ 297.095818 169.0
[M-H]- 273.099324 164.4
[M+NH4]+ 292.140423 169.8
[M+K]+ 313.069758 169.9
[M+H-H2O]+ 257.103860 148.8
[M+HCOO]- 319.104801 175.9
[M+CH3COO]- 333.120451 170.7
[M+Na-2H]- 295.081266 167.4
[M]+ 274.10605142 158.3
[M]- 274.10714858 158.3
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.