CID 3078359

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

Structural Information

Molecular Formula
C18H28N6O2
SMILES
CC(C)CN(CCC(=O)NC1=NC2=C(C=CC=N2)C(=O)NN1)CC(C)C
InChI
InChI=1S/C18H28N6O2/c1-12(2)10-24(11-13(3)4)9-7-15(25)20-18-21-16-14(6-5-8-19-16)17(26)22-23-18/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,22,26)(H2,19,20,21,23,25)
InChIKey
UXZFONPDIZRQEA-UHFFFAOYSA-N
Compound name
3-[bis(2-methylpropyl)amino]-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

360.2274 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23468 183.2
[M+Na]+ 383.21662 188.9
[M+NH4]+ 378.26122 185.6
[M+K]+ 399.19056 187.1
[M-H]- 359.22012 181.5
[M+Na-2H]- 381.20207 184.4
[M]+ 360.22685 182.9
[M]- 360.22795 182.9
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.