CID 44147577

163961-34-0

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
1
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 202.2
[M+Na]+ 460.18115 208.7
[M+NH4]+ 455.22575 207.0
[M+K]+ 476.15509 202.8
[M-H]- 436.18465 204.7
[M+Na-2H]- 458.16660 206.6
[M]+ 437.19138 204.4
[M]- 437.19248 204.4
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

No patent data available for this compound.