CID 22964478

Argatroban intermediate

Structural Information

Molecular Formula
C15H28N6O5
SMILES
CCOC(=O)C1CC(CCN1C(=O)C(CCCN=C(N)N[N+](=O)[O-])N)C
InChI
InChI=1S/C15H28N6O5/c1-3-26-14(23)12-9-10(2)6-8-20(12)13(22)11(16)5-4-7-18-15(17)19-21(24)25/h10-12H,3-9,16H2,1-2H3,(H3,17,18,19)
InChIKey
FQJRPNXNFXYTHZ-UHFFFAOYSA-N
Compound name
ethyl 1-[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-4-methylpiperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

372.21213 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.21941 183.2
[M+Na]+ 395.20135 185.3
[M+NH4]+ 390.24595 184.9
[M+K]+ 411.17529 187.3
[M-H]- 371.20485 183.2
[M+Na-2H]- 393.18680 181.3
[M]+ 372.21158 182.2
[M]- 372.21268 182.2
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.