CID 14177778

Schembl8898378

Structural Information

Molecular Formula
C22H22N6OS
SMILES
CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C(=NS3)C)C#N)NC(=O)C
InChI
InChI=1S/C22H22N6OS/c1-4-28(14-17-8-6-5-7-9-17)18-10-11-20(21(12-18)24-16(3)29)25-26-22-19(13-23)15(2)27-30-22/h5-12H,4,14H2,1-3H3,(H,24,29)
InChIKey
BDOXMLIYZJCEFK-UHFFFAOYSA-N
Compound name
N-[5-[benzyl(ethyl)amino]-2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

418.1576 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16488 210.7
[M+Na]+ 441.14682 218.5
[M-H]- 417.15032 220.3
[M+NH4]+ 436.19142 220.7
[M+K]+ 457.12076 213.0
[M+H-H2O]+ 401.15486 192.8
[M+HCOO]- 463.15580 229.9
[M+CH3COO]- 477.17145 247.4
[M+Na-2H]- 439.13227 209.3
[M]+ 418.15705 209.8
[M]- 418.15815 209.8
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