CID 366876

Nsc635920

Structural Information

Molecular Formula
C22H21N5S
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(S3)N=CC=C4
InChI
InChI=1S/C22H21N5S/c1-3-27(4-2)19-13-11-18(12-14-19)26-25-17-9-7-16(8-10-17)21-24-20-6-5-15-23-22(20)28-21/h5-15H,3-4H2,1-2H3
InChIKey
YBRWUZQEDAGCAK-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.15176 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15904 191.7
[M+Na]+ 410.14098 200.7
[M-H]- 386.14448 204.2
[M+NH4]+ 405.18558 205.0
[M+K]+ 426.11492 194.7
[M+H-H2O]+ 370.14902 180.4
[M+HCOO]- 432.14996 215.7
[M+CH3COO]- 446.16561 203.0
[M+Na-2H]- 408.12643 196.8
[M]+ 387.15121 198.5
[M]- 387.15231 198.5
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.