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]+ 352.190716 187.5
[M+Na]+ 374.172658 192.2
[M-H]- 350.176164 194.6
[M+NH4]+ 369.217263 200.6
[M+K]+ 390.146598 188.4
[M+H-H2O]+ 334.180700 178.1
[M+HCOO]- 396.181641 210.8
[M+CH3COO]- 410.197291 219.1
[M+Na-2H]- 372.158106 188.2
[M]+ 351.18289142 191.9
[M]- 351.18398858 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