CID 3078356

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

Structural Information

Molecular Formula
C9H8ClN5O2
SMILES
C1=CC2=C(N=C1)N=C(NNC2=O)NC(=O)CCl
InChI
InChI=1S/C9H8ClN5O2/c10-4-6(16)12-9-13-7-5(2-1-3-11-7)8(17)14-15-9/h1-3H,4H2,(H,14,17)(H2,11,12,13,15,16)
InChIKey
SFLFNVZYOXASHI-UHFFFAOYSA-N
Compound name
2-chloro-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

253.03665 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04393 148.4
[M+Na]+ 276.02587 158.3
[M+NH4]+ 271.07047 153.0
[M+K]+ 291.99981 155.2
[M-H]- 252.02937 146.9
[M+Na-2H]- 274.01132 152.6
[M]+ 253.03610 149.2
[M]- 253.03720 149.2
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.