CID 91126

24140-33-8

Structural Information

Molecular Formula
C22H22N2O2
SMILES
CC[C@H](C)COC(=O)C=CC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C#N
InChI
InChI=1S/C22H22N2O2/c1-3-17(2)16-26-22(25)13-10-18-8-11-21(12-9-18)24-15-20-6-4-19(14-23)5-7-20/h4-13,15,17H,3,16H2,1-2H3/t17-/m0/s1
InChIKey
QBHAGCFAQGQZGQ-KRWDZBQOSA-N
Compound name
[(2S)-2-methylbutyl] 3-[4-[(4-cyanophenyl)methylideneamino]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.16812 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17540 187.5
[M+Na]+ 369.15734 199.3
[M+NH4]+ 364.20194 190.6
[M+K]+ 385.13128 187.8
[M-H]- 345.16084 184.0
[M+Na-2H]- 367.14279 191.5
[M]+ 346.16757 187.3
[M]- 346.16867 187.3
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.