CID 166390

Einecs 277-156-3

Structural Information

Molecular Formula
C22H26N6O2S
SMILES
CCCN(CCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)C)C#N)NS(=O)(=O)C
InChI
InChI=1S/C22H26N6O2S/c1-5-9-28(10-6-2)19-7-8-20(21(13-19)27-31(4,29)30)25-26-22-17(14-23)11-16(3)12-18(22)15-24/h7-8,11-13,27H,5-6,9-10H2,1-4H3
InChIKey
DYOVEOOVFVMXAP-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dicyano-4-methylphenyl)diazenyl]-5-(dipropylamino)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

438.1838 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.19108 216.6
[M+Na]+ 461.17302 224.0
[M-H]- 437.17652 223.1
[M+NH4]+ 456.21762 223.2
[M+K]+ 477.14696 220.9
[M+H-H2O]+ 421.18106 198.4
[M+HCOO]- 483.18200 227.2
[M+CH3COO]- 497.19765 256.4
[M+Na-2H]- 459.15847 213.7
[M]+ 438.18325 212.2
[M]- 438.18435 212.2
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