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]+ 345.105606 180.4
[M+Na]+ 367.087548 191.6
[M-H]- 343.091054 191.1
[M+NH4]+ 362.132153 195.9
[M+K]+ 383.061488 183.8
[M+H-H2O]+ 327.095590 171.9
[M+HCOO]- 389.096531 201.1
[M+CH3COO]- 403.112181 192.5
[M+Na-2H]- 365.072996 183.6
[M]+ 344.09778142 184.9
[M]- 344.09887858 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.