CID 469948

Butanamide, 2,2'-[1,2-ethanediylbis(imino)]bis[n-2-pyridinyl-

Structural Information

Molecular Formula
C20H28N6O2
SMILES
CCC(C(=O)NC1=CC=CC=N1)NCCNC(CC)C(=O)NC2=CC=CC=N2
InChI
InChI=1S/C20H28N6O2/c1-3-15(19(27)25-17-9-5-7-11-23-17)21-13-14-22-16(4-2)20(28)26-18-10-6-8-12-24-18/h5-12,15-16,21-22H,3-4,13-14H2,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKey
OGUIPMGYNPACMR-UHFFFAOYSA-N
Compound name
2-[2-[[1-oxo-1-(pyridin-2-ylamino)butan-2-yl]amino]ethylamino]-N-pyridin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.2274 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.23468 192.0
[M+Na]+ 407.21662 191.7
[M-H]- 383.22012 194.7
[M+NH4]+ 402.26122 198.5
[M+K]+ 423.19056 188.6
[M+H-H2O]+ 367.22466 180.4
[M+HCOO]- 429.22560 212.7
[M+CH3COO]- 443.24125 230.4
[M+Na-2H]- 405.20207 195.1
[M]+ 384.22685 190.2
[M]- 384.22795 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.