CID 656912

L-n(omega)-nitroarginine-(4r)-amino-l-proline amide

Structural Information

Molecular Formula
C11H22N8O4
SMILES
C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N
InChI
InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1
InChIKey
IUFRDGFKAVLPFZ-CSMHCCOUSA-N
Compound name
(2S,4R)-4-[[(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]amino]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

330.1764 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18368 168.6
[M+Na]+ 353.16562 167.2
[M+NH4]+ 348.21022 169.7
[M+K]+ 369.13956 172.9
[M-H]- 329.16912 168.3
[M+Na-2H]- 351.15107 166.2
[M]+ 330.17585 166.6
[M]- 330.17695 166.6
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

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