CID 2753452

Butyl 3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate

Structural Information

Molecular Formula
C21H23NO3
SMILES
CCCCOC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C21H23NO3/c1-3-4-15-25-21(23)14-9-17-5-10-19(11-6-17)22-16-18-7-12-20(24-2)13-8-18/h5-14,16H,3-4,15H2,1-2H3
InChIKey
CULYZFOOJBHBNM-UHFFFAOYSA-N
Compound name
butyl 3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

337.1678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 182.7
[M+Na]+ 360.15702 188.2
[M-H]- 336.16052 190.0
[M+NH4]+ 355.20162 196.5
[M+K]+ 376.13096 184.0
[M+H-H2O]+ 320.16506 173.3
[M+HCOO]- 382.16600 207.4
[M+CH3COO]- 396.18165 215.3
[M+Na-2H]- 358.14247 185.1
[M]+ 337.16725 187.4
[M]- 337.16835 187.4
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.