CID 198208

39900-95-3

Structural Information

Molecular Formula
C16H16N2O2
SMILES
CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H16N2O2/c1-18(2)13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16(19)20/h3-11H,1-2H3,(H,19,20)
InChIKey
POYMPTXRBMLDIL-UHFFFAOYSA-N
Compound name
2-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 161.6
[M+Na]+ 291.11042 167.8
[M-H]- 267.11392 169.8
[M+NH4]+ 286.15502 177.8
[M+K]+ 307.08436 165.3
[M+H-H2O]+ 251.11846 153.1
[M+HCOO]- 313.11940 187.6
[M+CH3COO]- 327.13505 206.3
[M+Na-2H]- 289.09587 165.9
[M]+ 268.12065 162.7
[M]- 268.12175 162.7
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.