CID 3019168

83249-54-1

Structural Information

Molecular Formula
C21H26BrN5O2S
SMILES
CCCN(CCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)C)C#N)NS(=O)(=O)C
InChI
InChI=1S/C21H26BrN5O2S/c1-5-9-27(10-6-2)17-7-8-19(20(13-17)26-30(4,28)29)24-25-21-16(14-23)11-15(3)12-18(21)22/h7-8,11-13,26H,5-6,9-10H2,1-4H3
InChIKey
PRJALBAUHIQRTE-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-6-cyano-4-methylphenyl)diazenyl]-5-(dipropylamino)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.09906 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.10634 205.2
[M+Na]+ 514.08828 215.5
[M-H]- 490.09178 214.3
[M+NH4]+ 509.13288 216.2
[M+K]+ 530.06222 203.0
[M+H-H2O]+ 474.09632 193.2
[M+HCOO]- 536.09726 223.4
[M+CH3COO]- 550.11291 253.8
[M+Na-2H]- 512.07373 206.8
[M]+ 491.09851 222.1
[M]- 491.09961 222.1
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.