CID 102651

N2-(2,4-dinitrophenyl)-l-arginine

Structural Information

Molecular Formula
C12H16N6O6
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C12H16N6O6/c13-12(14)15-5-1-2-9(11(19)20)16-8-4-3-7(17(21)22)6-10(8)18(23)24/h3-4,6,9,16H,1-2,5H2,(H,19,20)(H4,13,14,15)
InChIKey
GZJXZYUXRVBOAH-UHFFFAOYSA-N
Compound name
5-(diaminomethylideneamino)-2-(2,4-dinitroanilino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11313 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12041 166.8
[M+Na]+ 363.10235 224.4
[M-H]- 339.10585 220.5
[M+NH4]+ 358.14695 214.3
[M+K]+ 379.07629 158.5
[M+H-H2O]+ 323.11039 166.7
[M+HCOO]- 385.11133 217.5
[M+CH3COO]- 399.12698 207.4
[M+Na-2H]- 361.08780 171.5
[M]+ 340.11258 194.1
[M]- 340.11368 194.1
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