CID 656910

L-n(omega)-nitroarginine-2,4-l-diaminobutyric amide

Structural Information

Molecular Formula
C10H22N8O4
SMILES
C(C[C@@H](C(=O)N[C@@H](CCN)C(=O)N)N)CN=C(N)N[N+](=O)[O-]
InChI
InChI=1S/C10H22N8O4/c11-4-3-7(8(13)19)16-9(20)6(12)2-1-5-15-10(14)17-18(21)22/h6-7H,1-5,11-12H2,(H2,13,19)(H,16,20)(H3,14,15,17)/t6-,7-/m0/s1
InChIKey
KUZKVXUOMSVPOA-BQBZGAKWSA-N
Compound name
(2S)-2-amino-5-[[amino(nitramido)methylidene]amino]-N-[(2S)-1,4-diamino-1-oxobutan-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

6
Patents

318.1764 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18368 162.6
[M+Na]+ 341.16562 225.6
[M-H]- 317.16912 221.8
[M+NH4]+ 336.21022 208.4
[M+K]+ 357.13956 159.1
[M+H-H2O]+ 301.17366 157.6
[M+HCOO]- 363.17460 201.7
[M+CH3COO]- 377.19025 219.5
[M+Na-2H]- 339.15107 162.3
[M]+ 318.17585 186.9
[M]- 318.17695 186.9
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