CID 3085715

Dipropylene glycol di-p-toluate

Structural Information

Molecular Formula
C22H26O5
SMILES
CC1=CC=C(C=C1)C(=O)OCCCOCCCOC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C22H26O5/c1-17-5-9-19(10-6-17)21(23)26-15-3-13-25-14-4-16-27-22(24)20-11-7-18(2)8-12-20/h5-12H,3-4,13-16H2,1-2H3
InChIKey
XMJAXLGZQSTXMT-UHFFFAOYSA-N
Compound name
3-[3-(4-methylbenzoyl)oxypropoxy]propyl 4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

370.178 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 190.5
[M+Na]+ 393.16722 195.0
[M-H]- 369.17072 196.2
[M+NH4]+ 388.21182 202.3
[M+K]+ 409.14116 192.3
[M+H-H2O]+ 353.17526 181.2
[M+HCOO]- 415.17620 211.5
[M+CH3COO]- 429.19185 217.1
[M+Na-2H]- 391.15267 190.5
[M]+ 370.17745 197.4
[M]- 370.17855 197.4
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

patents stripe