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]+ 404.13872 193.3
[M+Na]+ 426.12066 200.8
[M+NH4]+ 421.16526 198.3
[M+K]+ 442.09460 198.8
[M-H]- 402.12416 198.7
[M+Na-2H]- 424.10611 198.0
[M]+ 403.13089 195.7
[M]- 403.13199 195.7
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.