CID 3020230

84930-08-5

Structural Information

Molecular Formula
C17H17NO2
SMILES
COC(=O)C1=CC=CC=C1N=CCCC2=CC=CC=C2
InChI
InChI=1S/C17H17NO2/c1-20-17(19)15-11-5-6-12-16(15)18-13-7-10-14-8-3-2-4-9-14/h2-6,8-9,11-13H,7,10H2,1H3
InChIKey
ICANWIXAAGSKBR-UHFFFAOYSA-N
Compound name
methyl 2-(3-phenylpropylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.133196 162.4
[M+Na]+ 290.115138 168.5
[M-H]- 266.118644 170.0
[M+NH4]+ 285.159743 178.9
[M+K]+ 306.089078 165.2
[M+H-H2O]+ 250.123180 153.9
[M+HCOO]- 312.124121 188.1
[M+CH3COO]- 326.139771 201.5
[M+Na-2H]- 288.100586 167.7
[M]+ 267.12537142 164.7
[M]- 267.12646858 164.7
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

No patent data available for this compound.