CID 90658700

N-glutamylanilide diol

Structural Information

Molecular Formula
C11H16N2O5
SMILES
C1=CC(C(C=C1)(NC(=O)CC[C@@H](C(=O)O)N)O)O
InChI
InChI=1S/C11H16N2O5/c12-7(10(16)17)4-5-9(15)13-11(18)6-2-1-3-8(11)14/h1-3,6-8,14,18H,4-5,12H2,(H,13,15)(H,16,17)/t7-,8?,11?/m0/s1
InChIKey
AVPVIAPNMXZVAE-JYPKXMCJSA-N
Compound name
(2S)-2-amino-5-[(1,6-dihydroxycyclohexa-2,4-dien-1-yl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

256.10593 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11321 156.4
[M+Na]+ 279.09515 160.2
[M-H]- 255.09865 155.1
[M+NH4]+ 274.13975 171.7
[M+K]+ 295.06909 158.7
[M+H-H2O]+ 239.10319 151.1
[M+HCOO]- 301.10413 174.1
[M+CH3COO]- 315.11978 192.0
[M+Na-2H]- 277.08060 157.7
[M]+ 256.10538 152.0
[M]- 256.10648 152.0
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.