CID 476193

1,3-diethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)guanidine

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CCN=C(NC1=CC=CC=C1OC)N(CC)C2=NC3=C(C=CC=C3S2)OC
InChI
InChI=1S/C20H24N4O2S/c1-5-21-19(22-14-10-7-8-11-15(14)25-3)24(6-2)20-23-18-16(26-4)12-9-13-17(18)27-20/h7-13H,5-6H2,1-4H3,(H,21,22)
InChIKey
XSZGXTCROHBOHL-UHFFFAOYSA-N
Compound name
1,2-diethyl-1-(4-methoxy-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.162 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 191.7
[M+Na]+ 407.15122 198.8
[M-H]- 383.15472 201.1
[M+NH4]+ 402.19582 206.2
[M+K]+ 423.12516 195.3
[M+H-H2O]+ 367.15926 182.2
[M+HCOO]- 429.16020 214.2
[M+CH3COO]- 443.17585 229.6
[M+Na-2H]- 405.13667 194.2
[M]+ 384.16145 200.2
[M]- 384.16255 200.2
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.