CID 174502

Ec 402-290-8

Structural Information

Molecular Formula
C29H54N6O8SSi
SMILES
CO[Si](CCCSC(=O)NCCCCCCNC(=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O)(OC)OC
InChI
InChI=1S/C29H54N6O8SSi/c1-41-45(42-2,43-3)24-16-23-44-29(40)34-21-14-7-6-13-20-33-28(39)35(22-15-9-8-11-18-31-26-37)27(38)32-19-12-5-4-10-17-30-25-36/h4-24H2,1-3H3,(H,32,38)(H,33,39)(H,34,40)
InChIKey
IUUDMTXXKNFQGD-UHFFFAOYSA-N
Compound name
S-(3-trimethoxysilylpropyl) N-[6-[[6-isocyanatohexyl(6-isocyanatohexylcarbamoyl)carbamoyl]amino]hexyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

674.3493 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.35658 274.3
[M+Na]+ 697.33852 288.9
[M-H]- 673.34202 283.3
[M+NH4]+ 692.38312 285.4
[M+K]+ 713.31246 282.7
[M+H-H2O]+ 657.34656 272.7
[M+HCOO]- 719.34750 274.1
[M+CH3COO]- 733.36315 286.7
[M+Na-2H]- 695.32397 261.4
[M]+ 674.34875 266.8
[M]- 674.34985 266.8
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.