CID 376659

Nsc657705

Structural Information

Molecular Formula
C20H17N5O2S
SMILES
CC1=CC=CC=C1NC(=O)CC2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O
InChI
InChI=1S/C20H17N5O2S/c1-12-6-2-4-8-15(12)22-17(26)10-13-11-28-20(21-13)25-24-18-14-7-3-5-9-16(14)23-19(18)27/h2-9,11,23,27H,10H2,1H3,(H,22,26)
InChIKey
SDJLRUIZKOGSLL-UHFFFAOYSA-N
Compound name
2-[2-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

391.1103 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11758 188.2
[M+Na]+ 414.09952 197.3
[M-H]- 390.10302 198.3
[M+NH4]+ 409.14412 201.5
[M+K]+ 430.07346 191.1
[M+H-H2O]+ 374.10756 179.7
[M+HCOO]- 436.10850 210.3
[M+CH3COO]- 450.12415 199.1
[M+Na-2H]- 412.08497 190.7
[M]+ 391.10975 192.9
[M]- 391.11085 192.9
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