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

2
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 182.8
[M+Na]+ 360.15702 188.1
[M-H]- 336.16052 190.2
[M+NH4]+ 355.20162 196.6
[M+K]+ 376.13096 184.4
[M+H-H2O]+ 320.16506 173.7
[M+HCOO]- 382.16600 206.6
[M+CH3COO]- 396.18165 216.1
[M+Na-2H]- 358.14247 184.1
[M]+ 337.16725 186.9
[M]- 337.16835 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