CID 376652

Nsc657698

Structural Information

Molecular Formula
C18H14N4OS
SMILES
CC1=C(N=C(S1)N=NC2=C(NC3=CC=CC=C32)O)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4OS/c1-11-15(12-7-3-2-4-8-12)20-18(24-11)22-21-16-13-9-5-6-10-14(13)19-17(16)23/h2-10,19,23H,1H3
InChIKey
MZBMBWUJTBPJML-UHFFFAOYSA-N
Compound name
3-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)diazenyl]-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

334.08884 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09612 174.6
[M+Na]+ 357.07806 186.2
[M-H]- 333.08156 185.0
[M+NH4]+ 352.12266 190.9
[M+K]+ 373.05200 179.5
[M+H-H2O]+ 317.08610 166.7
[M+HCOO]- 379.08704 197.1
[M+CH3COO]- 393.10269 187.2
[M+Na-2H]- 355.06351 177.5
[M]+ 334.08829 179.3
[M]- 334.08939 179.3
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