CID 83321

Einecs 236-324-6

Structural Information

Molecular Formula
C19H23ClN4O3S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)C)Cl)NC(=O)C
InChI
InChI=1S/C19H23ClN4O3S/c1-5-24(6-2)14-7-9-18(19(11-14)21-13(3)25)23-22-17-10-8-15(12-16(17)20)28(4,26)27/h7-12H,5-6H2,1-4H3,(H,21,25)
InChIKey
NOSYDKSCDZTOKC-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4-methylsulfonylphenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

422.11795 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.12523 200.6
[M+Na]+ 445.10717 207.3
[M-H]- 421.11067 211.3
[M+NH4]+ 440.15177 212.9
[M+K]+ 461.08111 203.2
[M+H-H2O]+ 405.11521 191.7
[M+HCOO]- 467.11615 219.3
[M+CH3COO]- 481.13180 240.2
[M+Na-2H]- 443.09262 202.3
[M]+ 422.11740 209.4
[M]- 422.11850 209.4
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

patents stripe