CID 3019167

83249-53-0

Structural Information

Molecular Formula
C19H22BrN5O2S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)C)C#N)NS(=O)(=O)C
InChI
InChI=1S/C19H22BrN5O2S/c1-5-25(6-2)15-7-8-17(18(11-15)24-28(4,26)27)22-23-19-14(12-21)9-13(3)10-16(19)20/h7-11,24H,5-6H2,1-4H3
InChIKey
NEAZAYQFKUEDAZ-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-6-cyano-4-methylphenyl)diazenyl]-5-(diethylamino)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.06775 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.07503 198.0
[M+Na]+ 486.05697 209.1
[M-H]- 462.06047 207.4
[M+NH4]+ 481.10157 209.9
[M+K]+ 502.03091 196.9
[M+H-H2O]+ 446.06501 186.3
[M+HCOO]- 508.06595 216.7
[M+CH3COO]- 522.08160 248.9
[M+Na-2H]- 484.04242 200.4
[M]+ 463.06720 214.3
[M]- 463.06830 214.3
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.