CID 165342839

N-[2-[2-(3-acetyl-5-nitro-2-thienyl)diazenyl]-6-(diethylamino)phenyl]acetamide

Structural Information

Molecular Formula
C18H21N5O4S
SMILES
CCN(CC)C1=CC=CC(=C1NC(=O)C)N=NC2=C(C=C(S2)[N+](=O)[O-])C(=O)C
InChI
InChI=1S/C18H21N5O4S/c1-5-22(6-2)15-9-7-8-14(17(15)19-12(4)25)20-21-18-13(11(3)24)10-16(28-18)23(26)27/h7-10H,5-6H2,1-4H3,(H,19,25)
InChIKey
SMZFVOWVDVAHRV-UHFFFAOYSA-N
Compound name
N-[2-[(3-acetyl-5-nitrothiophen-2-yl)diazenyl]-6-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.13144 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.138716 195.1
[M+Na]+ 426.120658 198.2
[M-H]- 402.124164 205.5
[M+NH4]+ 421.165263 207.5
[M+K]+ 442.094598 192.5
[M+H-H2O]+ 386.128700 189.6
[M+HCOO]- 448.129641 220.0
[M+CH3COO]- 462.145291 233.0
[M+Na-2H]- 424.106106 196.0
[M]+ 403.13089142 198.9
[M]- 403.13198858 198.9
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.