CID 320585

Alpha-(4-(6-methyl-2-benzothiazolyl)phenylimino)-o-cresol

Structural Information

Molecular Formula
C21H16N2OS
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CC=C4O
InChI
InChI=1S/C21H16N2OS/c1-14-6-11-18-20(12-14)25-21(23-18)15-7-9-17(10-8-15)22-13-16-4-2-3-5-19(16)24/h2-13,24H,1H3
InChIKey
NDTLSVIHPFXUNH-UHFFFAOYSA-N
Compound name
2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

344.09833 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10561 180.4
[M+Na]+ 367.08755 191.6
[M-H]- 343.09105 191.1
[M+NH4]+ 362.13215 195.9
[M+K]+ 383.06149 183.8
[M+H-H2O]+ 327.09559 171.9
[M+HCOO]- 389.09653 201.1
[M+CH3COO]- 403.11218 192.5
[M+Na-2H]- 365.07300 183.6
[M]+ 344.09778 184.9
[M]- 344.09888 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.