CID 20836542

70851-53-5

Structural Information

Molecular Formula
C15H25N5O6SSi
SMILES
CO[Si](CCCNCCNC(=O)C1=CC(=CC=C1)S(=O)(=O)N=[N+]=[N-])(OC)OC
InChI
InChI=1S/C15H25N5O6SSi/c1-24-28(25-2,26-3)11-5-8-17-9-10-18-15(21)13-6-4-7-14(12-13)27(22,23)20-19-16/h4,6-7,12,17H,5,8-11H2,1-3H3,(H,18,21)
InChIKey
KKFOMYQDJDFTMY-UHFFFAOYSA-N
Compound name
3-azidosulfonyl-N-[2-(3-trimethoxysilylpropylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.1295 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13678 192.3
[M+Na]+ 454.11872 193.5
[M-H]- 430.12222 196.9
[M+NH4]+ 449.16332 223.8
[M+K]+ 470.09266 187.2
[M+H-H2O]+ 414.12676 186.9
[M+HCOO]- 476.12770 237.5
[M+CH3COO]- 490.14335 227.4
[M+Na-2H]- 452.10417 201.7
[M]+ 431.12895 196.4
[M]- 431.13005 196.4
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.