CID 2376168

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4h-1,3-thiazin-2-amine

Structural Information

Molecular Formula
C18H17N3S2
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC4=NCCCS4
InChI
InChI=1S/C18H17N3S2/c1-12-3-8-15-16(11-12)23-17(21-15)13-4-6-14(7-5-13)20-18-19-9-2-10-22-18/h3-8,11H,2,9-10H2,1H3,(H,19,20)
InChIKey
ULZHRGNKVWIOAJ-UHFFFAOYSA-N
Compound name
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.0864 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.093676 172.4
[M+Na]+ 362.075618 182.8
[M-H]- 338.079124 180.6
[M+NH4]+ 357.120223 187.2
[M+K]+ 378.049558 174.8
[M+H-H2O]+ 322.083660 164.8
[M+HCOO]- 384.084601 184.8
[M+CH3COO]- 398.100251 183.4
[M+Na-2H]- 360.061066 174.7
[M]+ 339.08585142 173.9
[M]- 339.08694858 173.9
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.