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]+ 254.043926 150.8
[M+Na]+ 276.025868 159.6
[M-H]- 252.029374 149.1
[M+NH4]+ 271.070473 162.3
[M+K]+ 291.999808 158.8
[M+H-H2O]+ 236.033910 140.9
[M+HCOO]- 298.034851 162.0
[M+CH3COO]- 312.050501 160.5
[M+Na-2H]- 274.011316 157.7
[M]+ 253.03610142 146.3
[M]- 253.03719858 146.3
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.