CID 86788

2-propenoic acid, 3-(4-(((4-methoxyphenyl)methylene)amino)phenyl)-2-methyl-, propyl ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

337.1678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.175076 182.8
[M+Na]+ 360.157018 188.1
[M-H]- 336.160524 190.2
[M+NH4]+ 355.201623 196.6
[M+K]+ 376.130958 184.4
[M+H-H2O]+ 320.165060 173.7
[M+HCOO]- 382.166001 206.6
[M+CH3COO]- 396.181651 216.1
[M+Na-2H]- 358.142466 184.1
[M]+ 337.16725142 186.9
[M]- 337.16834858 186.9
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

patents stripe