CID 173088

Bis(triethoxysilylpropylureido)toluene

Structural Information

Molecular Formula
C27H52N4O8Si2
SMILES
CCO[Si](CCCNC(=O)NC1=CC=CC(=C1NC(=O)NCCC[Si](OCC)(OCC)OCC)C)(OCC)OCC
InChI
InChI=1S/C27H52N4O8Si2/c1-8-34-40(35-9-2,36-10-3)21-15-19-28-26(32)30-24-18-14-17-23(7)25(24)31-27(33)29-20-16-22-41(37-11-4,38-12-5)39-13-6/h14,17-18H,8-13,15-16,19-22H2,1-7H3,(H2,28,30,32)(H2,29,31,33)
InChIKey
JJSXKJIZVCWEAT-UHFFFAOYSA-N
Compound name
1-[2-methyl-6-(3-triethoxysilylpropylcarbamoylamino)phenyl]-3-(3-triethoxysilylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.3324 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.33968 244.3
[M+Na]+ 639.32162 254.9
[M-H]- 615.32512 249.9
[M+NH4]+ 634.36622 249.5
[M+K]+ 655.29556 248.2
[M+H-H2O]+ 599.32966 240.2
[M+HCOO]- 661.33060 252.8
[M+CH3COO]- 675.34625 268.6
[M+Na-2H]- 637.30707 230.9
[M]+ 616.33185 238.4
[M]- 616.33295 238.4
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.