CID 963462

15087-99-7

Structural Information

Molecular Formula
C14H16N2S
SMILES
C1CCC2=C(C1)N=C(S2)NCC3=CC=CC=C3
InChI
InChI=1S/C14H16N2S/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-3,6-7H,4-5,8-10H2,(H,15,16)
InChIKey
YCRMVAAMYKKYAU-UHFFFAOYSA-N
Compound name
N-benzyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

244.10342 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11070 151.9
[M+Na]+ 267.09264 158.9
[M-H]- 243.09614 157.8
[M+NH4]+ 262.13724 171.1
[M+K]+ 283.06658 153.9
[M+H-H2O]+ 227.10068 144.6
[M+HCOO]- 289.10162 169.1
[M+CH3COO]- 303.11727 163.8
[M+Na-2H]- 265.07809 155.6
[M]+ 244.10287 150.7
[M]- 244.10397 150.7
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

patents stripe