CID 2471541

N-benzyl-5,7-dimethyl-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C16H16N2S
SMILES
CC1=CC(=C2C(=C1)N=C(S2)NCC3=CC=CC=C3)C
InChI
InChI=1S/C16H16N2S/c1-11-8-12(2)15-14(9-11)18-16(19-15)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,17,18)
InChIKey
HILBZYHLBNQVDI-UHFFFAOYSA-N
Compound name
N-benzyl-5,7-dimethyl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10342 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11070 159.2
[M+Na]+ 291.09264 170.2
[M-H]- 267.09614 166.7
[M+NH4]+ 286.13724 178.3
[M+K]+ 307.06658 164.0
[M+H-H2O]+ 251.10068 152.0
[M+HCOO]- 313.10162 179.8
[M+CH3COO]- 327.11727 172.5
[M+Na-2H]- 289.07809 163.2
[M]+ 268.10287 163.6
[M]- 268.10397 163.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.