CID 82450

10205-62-6

Structural Information

Molecular Formula
C16H16N2S
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3
InChIKey
OEOPVJYUCSQVMJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

122
Patents

268.10342 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11070 159.5
[M+Na]+ 291.09264 175.3
[M+NH4]+ 286.13724 170.1
[M+K]+ 307.06658 166.2
[M-H]- 267.09614 166.1
[M+Na-2H]- 289.07809 169.3
[M]+ 268.10287 164.4
[M]- 268.10397 164.4
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