CID 135458831

(e)-2-((benzo(d)thiazol-2-ylimino)methyl)phenol

Structural Information

Molecular Formula
C14H10N2OS
SMILES
C1=CC=C(C(=C1)/C=N/C2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C14H10N2OS/c17-12-7-3-1-5-10(12)9-15-14-16-11-6-2-4-8-13(11)18-14/h1-9,17H/b15-9+
InChIKey
QHXJLHSKVDZVOA-OQLLNIDSSA-N
Compound name
2-[(E)-1,3-benzothiazol-2-yliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.05139 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05867 153.2
[M+Na]+ 277.04061 164.4
[M-H]- 253.04411 160.8
[M+NH4]+ 272.08521 172.5
[M+K]+ 293.01455 158.7
[M+H-H2O]+ 237.04865 146.2
[M+HCOO]- 299.04959 175.0
[M+CH3COO]- 313.06524 166.9
[M+Na-2H]- 275.02606 159.1
[M]+ 254.05084 157.2
[M]- 254.05194 157.2
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.