CID 3084909

Carbonic acid, 4-(((4-(1-oxopentyl)phenyl)imino)methyl)phenyl pentyl ester

Structural Information

Molecular Formula
C24H29NO4
SMILES
CCCCCOC(=O)OC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)CCCC
InChI
InChI=1S/C24H29NO4/c1-3-5-7-17-28-24(27)29-22-15-9-19(10-16-22)18-25-21-13-11-20(12-14-21)23(26)8-6-4-2/h9-16,18H,3-8,17H2,1-2H3
InChIKey
CAWVGQCSOPTORW-UHFFFAOYSA-N
Compound name
[4-[(4-pentanoylphenyl)iminomethyl]phenyl] pentyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

395.20966 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21694 199.6
[M+Na]+ 418.19888 203.2
[M-H]- 394.20238 206.3
[M+NH4]+ 413.24348 210.7
[M+K]+ 434.17282 199.6
[M+H-H2O]+ 378.20692 189.5
[M+HCOO]- 440.20786 222.4
[M+CH3COO]- 454.22351 227.0
[M+Na-2H]- 416.18433 199.3
[M]+ 395.20911 206.1
[M]- 395.21021 206.1
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