CID 474023

178980-04-6

Structural Information

Molecular Formula
C14H17Cl2N3O2S
SMILES
CC(C)C1=C(N(C(=N1)CN)C)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H17Cl2N3O2S/c1-8(2)13-14(19(3)12(7-17)18-13)22(20,21)11-5-9(15)4-10(16)6-11/h4-6,8H,7,17H2,1-3H3
InChIKey
SADXAPDPRGIKEK-UHFFFAOYSA-N
Compound name
[5-(3,5-dichlorophenyl)sulfonyl-1-methyl-4-propan-2-ylimidazol-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

361.04184 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.04912 180.5
[M+Na]+ 384.03106 191.8
[M-H]- 360.03456 185.3
[M+NH4]+ 379.07566 194.6
[M+K]+ 400.00500 185.0
[M+H-H2O]+ 344.03910 174.6
[M+HCOO]- 406.04004 186.7
[M+CH3COO]- 420.05569 212.8
[M+Na-2H]- 382.01651 177.7
[M]+ 361.04129 187.0
[M]- 361.04239 187.0
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