CID 107064

68039-34-9

Structural Information

Molecular Formula
C21H29NO3
SMILES
CC(C)(CCCC1=CCCC(C1)C=NC2=CC=CC=C2C(=O)OC)O
InChI
InChI=1S/C21H29NO3/c1-21(2,24)13-7-10-16-8-6-9-17(14-16)15-22-19-12-5-4-11-18(19)20(23)25-3/h4-5,8,11-12,15,17,24H,6-7,9-10,13-14H2,1-3H3
InChIKey
SHVPQYKJRHVCDY-UHFFFAOYSA-N
Compound name
methyl 2-[[3-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

343.21475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 185.7
[M+Na]+ 366.20397 195.9
[M+NH4]+ 361.24857 192.0
[M+K]+ 382.17791 189.2
[M-H]- 342.20747 188.7
[M+Na-2H]- 364.18942 191.2
[M]+ 343.21420 187.9
[M]- 343.21530 187.9
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