CID 151475

7672-27-7

Structural Information

Molecular Formula
C13H19N5O4
SMILES
C1=CC=C(C=C1)COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N
InChI
InChI=1S/C13H19N5O4/c14-11(7-4-8-16-13(15)17-18(20)21)12(19)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H3,15,16,17)/t11-/m0/s1
InChIKey
FAJFGLZHUIUNSS-NSHDSACASA-N
Compound name
benzyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

87
Patents

309.1437 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15098 168.9
[M+Na]+ 332.13292 174.4
[M+NH4]+ 327.17752 173.0
[M+K]+ 348.10686 174.1
[M-H]- 308.13642 171.3
[M+Na-2H]- 330.11837 171.5
[M]+ 309.14315 169.4
[M]- 309.14425 169.4
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