CID 70855894

74874-07-0

Structural Information

Molecular Formula
C20H36N6O7
SMILES
CCOC(=O)[C@H]1C[C@@H](CCN1C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C20H36N6O7/c1-6-32-17(28)15-12-13(2)9-11-25(15)16(27)14(23-19(29)33-20(3,4)5)8-7-10-22-18(21)24-26(30)31/h13-15H,6-12H2,1-5H3,(H,23,29)(H3,21,22,24)/t13-,14+,15-/m1/s1
InChIKey
IXUJSLMIDVNADJ-QLFBSQMISA-N
Compound name
ethyl (2R,4R)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-4-methylpiperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

472.26456 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.27184 218.4
[M+Na]+ 495.25378 223.5
[M+NH4]+ 490.29838 226.4
[M+K]+ 511.22772 230.8
[M-H]- 471.25728 214.3
[M+Na-2H]- 493.23923 212.2
[M]+ 472.26401 220.0
[M]- 472.26511 220.0
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

patents stripe