CID 210097

Itf 615

Structural Information

Molecular Formula
C18H18N2O5
SMILES
CCCCOC(=O)C1=CC=C(C=C1)N(C2=CC=CC=C2C(=O)O)N=O
InChI
InChI=1S/C18H18N2O5/c1-2-3-12-25-18(23)13-8-10-14(11-9-13)20(19-24)16-7-5-4-6-15(16)17(21)22/h4-11H,2-3,12H2,1H3,(H,21,22)
InChIKey
JJGXBEBQMPGBRI-UHFFFAOYSA-N
Compound name
2-(4-butoxycarbonyl-N-nitrosoanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12158 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12886 178.6
[M+Na]+ 365.11080 189.0
[M+NH4]+ 360.15540 183.7
[M+K]+ 381.08474 184.2
[M-H]- 341.11430 181.7
[M+Na-2H]- 363.09625 185.2
[M]+ 342.12103 180.6
[M]- 342.12213 180.6
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.