CID 3078357

Acetamide, n-(4,5-dihydro-5-oxo-1h-pyrido(2,3-e)(1,2,4)triazepin-2-yl)-

Structural Information

Molecular Formula
C9H9N5O2
SMILES
CC(=O)NC1=NC2=C(C=CC=N2)C(=O)NN1
InChI
InChI=1S/C9H9N5O2/c1-5(15)11-9-12-7-6(3-2-4-10-7)8(16)13-14-9/h2-4H,1H3,(H,13,16)(H2,10,11,12,14,15)
InChIKey
REXHYSFTGGHNLQ-UHFFFAOYSA-N
Compound name
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

219.07562 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.08290 147.2
[M+Na]+ 242.06484 154.7
[M-H]- 218.06834 145.9
[M+NH4]+ 237.10944 159.0
[M+K]+ 258.03878 155.2
[M+H-H2O]+ 202.07288 137.5
[M+HCOO]- 264.07382 162.5
[M+CH3COO]- 278.08947 157.1
[M+Na-2H]- 240.05029 154.2
[M]+ 219.07507 141.0
[M]- 219.07617 141.0
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.