CID 110090

Einecs 269-887-1

Structural Information

Molecular Formula
C20H22N6O2S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)C)C#N)NS(=O)(=O)C
InChI
InChI=1S/C20H22N6O2S/c1-5-26(6-2)17-7-8-18(19(11-17)25-29(4,27)28)23-24-20-15(12-21)9-14(3)10-16(20)13-22/h7-11,25H,5-6H2,1-4H3
InChIKey
NSLHLMXJNOITEZ-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dicyano-4-methylphenyl)diazenyl]-5-(diethylamino)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

410.1525 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15978 211.9
[M+Na]+ 433.14172 219.9
[M-H]- 409.14522 218.7
[M+NH4]+ 428.18632 219.2
[M+K]+ 449.11566 217.0
[M+H-H2O]+ 393.14976 193.9
[M+HCOO]- 455.15070 222.9
[M+CH3COO]- 469.16635 252.7
[M+Na-2H]- 431.12717 209.5
[M]+ 410.15195 207.1
[M]- 410.15305 207.1
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

patents stripe