CID 476190

N,n'-diethyl-n-(5-methyl-benzothiazol-2-yl)-n''-m-tolyl-guanidine

Structural Information

Molecular Formula
C20H24N4S
SMILES
CCN=C(NC1=CC=CC(=C1)C)N(CC)C2=NC3=C(S2)C=CC(=C3)C
InChI
InChI=1S/C20H24N4S/c1-5-21-19(22-16-9-7-8-14(3)12-16)24(6-2)20-23-17-13-15(4)10-11-18(17)25-20/h7-13H,5-6H2,1-4H3,(H,21,22)
InChIKey
MIEFDVKTVUKQSI-UHFFFAOYSA-N
Compound name
1,2-diethyl-1-(5-methyl-1,3-benzothiazol-2-yl)-3-(3-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17218 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17946 185.4
[M+Na]+ 375.16140 193.2
[M-H]- 351.16490 194.9
[M+NH4]+ 370.20600 201.5
[M+K]+ 391.13534 188.3
[M+H-H2O]+ 335.16944 176.3
[M+HCOO]- 397.17038 207.6
[M+CH3COO]- 411.18603 225.4
[M+Na-2H]- 373.14685 187.5
[M]+ 352.17163 191.3
[M]- 352.17273 191.3
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.