CID 3046857

Ig-243-na

Structural Information

Molecular Formula
C18H13Cl2NO2
SMILES
C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C3=CC=CC=C32)Cl)Cl
InChI
InChI=1S/C18H13Cl2NO2/c19-14-10-15(20)18(13-7-3-2-6-12(13)14)21-16-8-4-1-5-11(16)9-17(22)23/h1-8,10,21H,9H2,(H,22,23)
InChIKey
MEMVVLQEHWDXRM-UHFFFAOYSA-N
Compound name
2-[2-[(2,4-dichloronaphthalen-1-yl)amino]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

345.03235 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.03963 174.8
[M+Na]+ 368.02157 184.6
[M-H]- 344.02507 180.7
[M+NH4]+ 363.06617 189.8
[M+K]+ 383.99551 176.8
[M+H-H2O]+ 328.02961 168.8
[M+HCOO]- 390.03055 187.2
[M+CH3COO]- 404.04620 185.7
[M+Na-2H]- 366.00702 178.7
[M]+ 345.03180 178.7
[M]- 345.03290 178.7
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

patents stripe