CID 11463352

3-(2,4-dinitrophenylamino)propyltriethoxysilane

Structural Information

Molecular Formula
C15H25N3O7Si
SMILES
CCO[Si](CCCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])(OCC)OCC
InChI
InChI=1S/C15H25N3O7Si/c1-4-23-26(24-5-2,25-6-3)11-7-10-16-14-9-8-13(17(19)20)12-15(14)18(21)22/h8-9,12,16H,4-7,10-11H2,1-3H3
InChIKey
PKFHRDQMVBGXGO-UHFFFAOYSA-N
Compound name
2,4-dinitro-N-(3-triethoxysilylpropyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

795
Patents

387.14618 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15346 207.3
[M+Na]+ 410.13540 215.3
[M-H]- 386.13890 208.9
[M+NH4]+ 405.18000 212.7
[M+K]+ 426.10934 209.2
[M+H-H2O]+ 370.14344 191.7
[M+HCOO]- 432.14438 226.1
[M+CH3COO]- 446.16003 209.2
[M+Na-2H]- 408.12085 198.7
[M]+ 387.14563 199.9
[M]- 387.14673 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe