CID 369983

154094-92-5

Structural Information

Molecular Formula
C14H19N7O5
SMILES
CC1=NC=C(N1CCNC(=O)CCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C14H19N7O5/c1-11-17-10-13(20(23)24)19(11)9-6-15-12(22)4-2-3-7-18-8-5-16-14(18)21(25)26/h5,8,10H,2-4,6-7,9H2,1H3,(H,15,22)
InChIKey
QRJAWFYCJLNBRT-UHFFFAOYSA-N
Compound name
N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]-5-(2-nitroimidazol-1-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.14478 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15206 182.4
[M+Na]+ 388.13400 186.5
[M-H]- 364.13750 185.5
[M+NH4]+ 383.17860 190.3
[M+K]+ 404.10794 175.9
[M+H-H2O]+ 348.14204 180.5
[M+HCOO]- 410.14298 205.6
[M+CH3COO]- 424.15863 205.4
[M+Na-2H]- 386.11945 189.5
[M]+ 365.14423 182.1
[M]- 365.14533 182.1
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.