CID 5702746

24140-30-5

Structural Information

Molecular Formula
C22H25NO3
SMILES
CC[C@H](C)COC(=O)/C=C/C1=CC=C(C=C1)N=CC2=CC=C(C=C2)OC
InChI
InChI=1S/C22H25NO3/c1-4-17(2)16-26-22(24)14-9-18-5-10-20(11-6-18)23-15-19-7-12-21(25-3)13-8-19/h5-15,17H,4,16H2,1-3H3/b14-9+,23-15?/t17-/m0/s1
InChIKey
FKZXVOQEYXOXAD-VPCHJHAQSA-N
Compound name
[(2S)-2-methylbutyl] (E)-3-[4-[(4-methoxyphenyl)methylideneamino]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.18344 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 187.5
[M+Na]+ 374.17266 192.2
[M-H]- 350.17616 194.6
[M+NH4]+ 369.21726 200.6
[M+K]+ 390.14660 188.4
[M+H-H2O]+ 334.18070 178.1
[M+HCOO]- 396.18164 210.8
[M+CH3COO]- 410.19729 219.1
[M+Na-2H]- 372.15811 188.2
[M]+ 351.18289 191.9
[M]- 351.18399 191.9
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