CID 44147577

Benzenamine, n,n-bis(2-methylpropyl)-4-((5-((2-methylpropyl)sulfonyl)-1,3,4-thiadiazol-2-yl)azo)-

Structural Information

Molecular Formula
C20H31N5O2S2
SMILES
CC(C)CN(CC(C)C)C1=CC=C(C=C1)N=NC2=NN=C(S2)S(=O)(=O)CC(C)C
InChI
InChI=1S/C20H31N5O2S2/c1-14(2)11-25(12-15(3)4)18-9-7-17(8-10-18)21-22-19-23-24-20(28-19)29(26,27)13-16(5)6/h7-10,14-16H,11-13H2,1-6H3
InChIKey
BZRWOVKCTOFFIW-UHFFFAOYSA-N
Compound name
N,N-bis(2-methylpropyl)-4-[[5-(2-methylpropylsulfonyl)-1,3,4-thiadiazol-2-yl]diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

437.19193 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19921 205.8
[M+Na]+ 460.18115 210.1
[M-H]- 436.18465 213.2
[M+NH4]+ 455.22575 216.2
[M+K]+ 476.15509 206.7
[M+H-H2O]+ 420.18919 196.1
[M+HCOO]- 482.19013 218.2
[M+CH3COO]- 496.20578 241.4
[M+Na-2H]- 458.16660 203.6
[M]+ 437.19138 213.6
[M]- 437.19248 213.6
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.