CID 12695023

Z-arg(no2)-oh

Structural Information

Molecular Formula
C14H19N5O6
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCCN=C(N)N[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C14H19N5O6/c15-13(18-19(23)24)16-8-4-7-11(12(20)21)17-14(22)25-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,22)(H,20,21)(H3,15,16,18)/t11-/m0/s1
InChIKey
BZPCSFNCKORLQG-NSHDSACASA-N
Compound name
(2S)-5-[[amino(nitramido)methylidene]amino]-2-(phenylmethoxycarbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

353.13354 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.140816 174.4
[M+Na]+ 376.122758 173.9
[M-H]- 352.126264 176.2
[M+NH4]+ 371.167363 183.7
[M+K]+ 392.096698 170.0
[M+H-H2O]+ 336.130800 169.6
[M+HCOO]- 398.131741 199.0
[M+CH3COO]- 412.147391 213.2
[M+Na-2H]- 374.108206 177.7
[M]+ 353.13299142 171.0
[M]- 353.13408858 171.0
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

patents stripe