CID 473977

178979-59-4

Structural Information

Molecular Formula
C17H23Cl2N3S
SMILES
CCCCN1C(=NC(=C1SC2=CC(=CC(=C2)Cl)Cl)C(C)C)CN
InChI
InChI=1S/C17H23Cl2N3S/c1-4-5-6-22-15(10-20)21-16(11(2)3)17(22)23-14-8-12(18)7-13(19)9-14/h7-9,11H,4-6,10,20H2,1-3H3
InChIKey
SCMURRORVNXUPJ-UHFFFAOYSA-N
Compound name
[1-butyl-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

371.09897 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10625 186.4
[M+Na]+ 394.08819 196.1
[M-H]- 370.09169 190.0
[M+NH4]+ 389.13279 200.3
[M+K]+ 410.06213 188.1
[M+H-H2O]+ 354.09623 179.4
[M+HCOO]- 416.09717 192.3
[M+CH3COO]- 430.11282 218.2
[M+Na-2H]- 392.07364 180.9
[M]+ 371.09842 193.0
[M]- 371.09952 193.0
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

patents stripe