CID 478787

[bis-(2-hydroxyethyl)-amino]-dinitro-benzenesulfonamide

Structural Information

Molecular Formula
C10H14N4O8S
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])N(CCO)CCO)[N+](=O)[O-])S(=O)(=O)N
InChI
InChI=1S/C10H14N4O8S/c11-23(21,22)7-5-8(13(17)18)10(9(6-7)14(19)20)12(1-3-15)2-4-16/h5-6,15-16H,1-4H2,(H2,11,21,22)
InChIKey
MRSNIJUIXJNQKD-UHFFFAOYSA-N
Compound name
4-[bis(2-hydroxyethyl)amino]-3,5-dinitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.05322 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.06050 166.5
[M+Na]+ 373.04244 168.8
[M-H]- 349.04594 200.5
[M+NH4]+ 368.08704 199.3
[M+K]+ 389.01638 158.3
[M+H-H2O]+ 333.05048 167.4
[M+HCOO]- 395.05142 210.1
[M+CH3COO]- 409.06707 198.4
[M+Na-2H]- 371.02789 174.2
[M]+ 350.05267 186.0
[M]- 350.05377 186.0
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

No patent data available for this compound.