CID 95755

4-(1,3-benzothiazol-2-yl)-n,n-dimethylaniline

Structural Information

Molecular Formula
C15H14N2S
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
InChIKey
HYKGLCSXVAAXNC-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

636
Patents

254.08777 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09505 155.3
[M+Na]+ 277.07699 166.0
[M-H]- 253.08049 164.2
[M+NH4]+ 272.12159 175.3
[M+K]+ 293.05093 161.5
[M+H-H2O]+ 237.08503 147.9
[M+HCOO]- 299.08597 176.8
[M+CH3COO]- 313.10162 169.2
[M+Na-2H]- 275.06244 159.8
[M]+ 254.08722 160.3
[M]- 254.08832 160.3
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

patents stripe