CID 476188

1-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-chlorophenyl)-1,3-diethyl-guanidine

Structural Information

Molecular Formula
C18H18Cl2N4S
SMILES
CCN=C(NC1=CC=C(C=C1)Cl)N(CC)C2=NC3=C(S2)C=C(C=C3)Cl
InChI
InChI=1S/C18H18Cl2N4S/c1-3-21-17(22-14-8-5-12(19)6-9-14)24(4-2)18-23-15-10-7-13(20)11-16(15)25-18/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKey
IHBNGVCTTPQTCI-UHFFFAOYSA-N
Compound name
1-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)-1,2-diethylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.06293 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.07021 191.6
[M+Na]+ 415.05215 201.1
[M-H]- 391.05565 200.4
[M+NH4]+ 410.09675 207.4
[M+K]+ 431.02609 194.2
[M+H-H2O]+ 375.06019 184.0
[M+HCOO]- 437.06113 204.6
[M+CH3COO]- 451.07678 202.4
[M+Na-2H]- 413.03760 193.2
[M]+ 392.06238 200.2
[M]- 392.06348 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.