CID 3078358

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

Structural Information

Molecular Formula
C10H10ClN5O2
SMILES
C1=CC2=C(N=C1)N=C(NNC2=O)NC(=O)CCCl
InChI
InChI=1S/C10H10ClN5O2/c11-4-3-7(17)13-10-14-8-6(2-1-5-12-8)9(18)15-16-10/h1-2,5H,3-4H2,(H,15,18)(H2,12,13,14,16,17)
InChIKey
NPHQFYRTSMMVDV-UHFFFAOYSA-N
Compound name
3-chloro-N-(5-oxo-3,4-dihydropyrido[2,3-e][1,2,4]triazepin-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0523 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.05958 152.7
[M+Na]+ 290.04152 162.3
[M+NH4]+ 285.08612 157.1
[M+K]+ 306.01546 159.0
[M-H]- 266.04502 151.1
[M+Na-2H]- 288.02697 156.5
[M]+ 267.05175 153.4
[M]- 267.05285 153.4
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.