CID 362740

3-(naphthalene-2-sulfonamido)propanoic acid

Structural Information

Molecular Formula
C13H13NO4S
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)O
InChI
InChI=1S/C13H13NO4S/c15-13(16)7-8-14-19(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,7-8H2,(H,15,16)
InChIKey
ZARBMGXIZPSUAL-UHFFFAOYSA-N
Compound name
3-(naphthalen-2-ylsulfonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

25
Patents

279.05652 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06380 158.5
[M+Na]+ 302.04574 165.6
[M-H]- 278.04924 161.5
[M+NH4]+ 297.09034 174.6
[M+K]+ 318.01968 161.5
[M+H-H2O]+ 262.05378 152.3
[M+HCOO]- 324.05472 174.6
[M+CH3COO]- 338.07037 195.3
[M+Na-2H]- 300.03119 164.5
[M]+ 279.05597 161.2
[M]- 279.05707 161.2
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