CID 3055046

Brn 2985236

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCCCOC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C18H19NO3/c1-2-3-12-22-15-10-8-14(9-11-15)13-19-17-7-5-4-6-16(17)18(20)21/h4-11,13H,2-3,12H2,1H3,(H,20,21)
InChIKey
CCQBPBJBQAZGHW-UHFFFAOYSA-N
Compound name
2-[(4-butoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 169.8
[M+Na]+ 320.12572 175.8
[M-H]- 296.12922 176.2
[M+NH4]+ 315.17032 184.5
[M+K]+ 336.09966 172.0
[M+H-H2O]+ 280.13376 161.3
[M+HCOO]- 342.13470 193.9
[M+CH3COO]- 356.15035 205.9
[M+Na-2H]- 318.11117 173.5
[M]+ 297.13595 172.5
[M]- 297.13705 172.5
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.