CID 75141

Boc-arg(no2)-oh

Structural Information

Molecular Formula
C11H21N5O6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1
InChIKey
OZSSOVRIEPAIMP-ZETCQYMHSA-N
Compound name
(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

231
Patents

319.14917 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.15645 185.8
[M+Na]+ 342.13839 191.0
[M+NH4]+ 337.18299 193.8
[M+K]+ 358.11233 199.3
[M-H]- 318.14189 180.7
[M+Na-2H]- 340.12384 181.2
[M]+ 319.14862 187.0
[M]- 319.14972 187.0
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