CID 105622

67800-79-7

Structural Information

Molecular Formula
C22H33NO2
SMILES
CCCCCCC=C(CCCCC)C=NC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C22H33NO2/c1-4-6-8-9-11-15-19(14-10-7-5-2)18-23-21-17-13-12-16-20(21)22(24)25-3/h12-13,15-18H,4-11,14H2,1-3H3
InChIKey
IAHAHMKOSPDZNQ-UHFFFAOYSA-N
Compound name
methyl 2-(2-pentylnon-2-enylideneamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.25113 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 191.0
[M+Na]+ 366.24035 193.8
[M-H]- 342.24385 194.0
[M+NH4]+ 361.28495 204.8
[M+K]+ 382.21429 189.7
[M+H-H2O]+ 326.24839 182.4
[M+HCOO]- 388.24933 212.7
[M+CH3COO]- 402.26498 220.2
[M+Na-2H]- 364.22580 189.7
[M]+ 343.25058 196.4
[M]- 343.25168 196.4
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.