CID 476183

N-benzothiazol-2-yl-n,n'-diethyl-n''-phenyl-guanidine

Structural Information

Molecular Formula
C18H20N4S
SMILES
CCN=C(NC1=CC=CC=C1)N(CC)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C18H20N4S/c1-3-19-17(20-14-10-6-5-7-11-14)22(4-2)18-21-15-12-8-9-13-16(15)23-18/h5-13H,3-4H2,1-2H3,(H,19,20)
InChIKey
QJQKCAMMEONFSO-UHFFFAOYSA-N
Compound name
1-(1,3-benzothiazol-2-yl)-1,2-diethyl-3-phenylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.14087 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14815 175.1
[M+Na]+ 347.13009 182.1
[M-H]- 323.13359 184.2
[M+NH4]+ 342.17469 191.8
[M+K]+ 363.10403 177.6
[M+H-H2O]+ 307.13813 165.9
[M+HCOO]- 369.13907 198.1
[M+CH3COO]- 383.15472 186.7
[M+Na-2H]- 345.11554 179.7
[M]+ 324.14032 179.5
[M]- 324.14142 179.5
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.