CID 24755470

N-{[6-(pentyloxy)naphthalen-2-yl]sulfonyl}-d-glutamic acid

Structural Information

Molecular Formula
C20H25NO7S
SMILES
CCCCCOC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H25NO7S/c1-2-3-4-11-28-16-7-5-15-13-17(8-6-14(15)12-16)29(26,27)21-18(20(24)25)9-10-19(22)23/h5-8,12-13,18,21H,2-4,9-11H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1
InChIKey
LIGACKDHLKEZFH-GOSISDBHSA-N
Compound name
(2R)-2-[(6-pentoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

423.13516 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.14244 195.5
[M+Na]+ 446.12438 198.2
[M-H]- 422.12788 195.7
[M+NH4]+ 441.16898 204.3
[M+K]+ 462.09832 194.9
[M+H-H2O]+ 406.13242 188.1
[M+HCOO]- 468.13336 206.2
[M+CH3COO]- 482.14901 222.8
[M+Na-2H]- 444.10983 196.2
[M]+ 423.13461 201.4
[M]- 423.13571 201.4
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

No patent data available for this compound.