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 195.1
[M+Na]+ 426.12066 198.2
[M-H]- 402.12416 205.5
[M+NH4]+ 421.16526 207.5
[M+K]+ 442.09460 192.5
[M+H-H2O]+ 386.12870 189.6
[M+HCOO]- 448.12964 220.0
[M+CH3COO]- 462.14529 233.0
[M+Na-2H]- 424.10611 196.0
[M]+ 403.13089 198.9
[M]- 403.13199 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.