CID 107002

N2-(4-nitrophenyl)-l-glutamine

Structural Information

Molecular Formula
C11H13N3O5
SMILES
C1=CC(=CC=C1NC(CCC(=O)N)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H13N3O5/c12-10(15)6-5-9(11(16)17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9,13H,5-6H2,(H2,12,15)(H,16,17)
InChIKey
IMTMBDXEKMXETQ-UHFFFAOYSA-N
Compound name
5-amino-2-(4-nitroanilino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0855 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.092776 154.9
[M+Na]+ 290.074718 158.2
[M-H]- 266.078224 156.3
[M+NH4]+ 285.119323 168.1
[M+K]+ 306.048658 152.8
[M+H-H2O]+ 250.082760 152.2
[M+HCOO]- 312.083701 177.8
[M+CH3COO]- 326.099351 193.0
[M+Na-2H]- 288.060166 158.3
[M]+ 267.08495142 151.0
[M]- 267.08604858 151.0
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

No patent data available for this compound.