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]+ 257.113206 156.4
[M+Na]+ 279.095148 160.2
[M-H]- 255.098654 155.1
[M+NH4]+ 274.139753 171.7
[M+K]+ 295.069088 158.7
[M+H-H2O]+ 239.103190 151.1
[M+HCOO]- 301.104131 174.1
[M+CH3COO]- 315.119781 192.0
[M+Na-2H]- 277.080596 157.7
[M]+ 256.10538142 152.0
[M]- 256.10647858 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.