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 155.0
[M+Na]+ 290.04152 163.4
[M-H]- 266.04502 153.1
[M+NH4]+ 285.08612 165.9
[M+K]+ 306.01546 162.4
[M+H-H2O]+ 250.04956 144.9
[M+HCOO]- 312.05050 165.8
[M+CH3COO]- 326.06615 164.2
[M+Na-2H]- 288.02697 161.4
[M]+ 267.05175 150.8
[M]- 267.05285 150.8
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.