CID 379034

Nsc662796

Structural Information

Molecular Formula
C13H16N6O3
SMILES
C1COCCN1CC(=O)NC2=NC3=C(C=CC=N3)C(=O)NN2
InChI
InChI=1S/C13H16N6O3/c20-10(8-19-4-6-22-7-5-19)15-13-16-11-9(2-1-3-14-11)12(21)17-18-13/h1-3H,4-8H2,(H,17,21)(H2,14,15,16,18,20)
InChIKey
DKQAGPLBXLAEHV-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-(5-oxo-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1284 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13568 171.5
[M+Na]+ 327.11762 175.9
[M-H]- 303.12112 171.2
[M+NH4]+ 322.16222 176.6
[M+K]+ 343.09156 176.2
[M+H-H2O]+ 287.12566 158.5
[M+HCOO]- 349.12660 180.6
[M+CH3COO]- 363.14225 178.1
[M+Na-2H]- 325.10307 176.3
[M]+ 304.12785 162.6
[M]- 304.12895 162.6
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.