CID 707359

4-carboxy-n-(4-isopropylbenzylidene)aniline

Structural Information

Molecular Formula
C17H17NO2
SMILES
CC(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H17NO2/c1-12(2)14-5-3-13(4-6-14)11-18-16-9-7-15(8-10-16)17(19)20/h3-12H,1-2H3,(H,19,20)
InChIKey
ZOEAKFKAMYYVRC-UHFFFAOYSA-N
Compound name
4-[(4-propan-2-ylphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

267.12592 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.133196 162.2
[M+Na]+ 290.115138 168.4
[M-H]- 266.118644 168.9
[M+NH4]+ 285.159743 178.1
[M+K]+ 306.089078 164.8
[M+H-H2O]+ 250.123180 154.3
[M+HCOO]- 312.124121 185.4
[M+CH3COO]- 326.139771 201.7
[M+Na-2H]- 288.100586 165.1
[M]+ 267.12537142 162.5
[M]- 267.12646858 162.5
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.