CID 20883

Clodazon

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C18H20ClN3O/c1-20(2)11-6-12-21-16-10-9-14(19)13-17(16)22(18(21)23)15-7-4-3-5-8-15/h3-5,7-10,13H,6,11-12H2,1-2H3
InChIKey
VWXGRWMELBPMCU-UHFFFAOYSA-N
Compound name
5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

914
Patents

329.1295 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.136776 177.7
[M+Na]+ 352.118718 188.7
[M-H]- 328.122224 184.6
[M+NH4]+ 347.163323 193.5
[M+K]+ 368.092658 182.3
[M+H-H2O]+ 312.126760 168.5
[M+HCOO]- 374.127701 197.1
[M+CH3COO]- 388.143351 189.7
[M+Na-2H]- 350.104166 181.0
[M]+ 329.12895142 185.0
[M]- 329.13004858 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe