CID 41446

Acodazole hydrochloride

Structural Information

Molecular Formula
C20H19N5O
SMILES
CC1=CC(=C2C(=CC=C3C2=NC=N3)N1)NC4=CC=C(C=C4)N(C)C(=O)C
InChI
InChI=1S/C20H19N5O/c1-12-10-18(19-16(23-12)8-9-17-20(19)22-11-21-17)24-14-4-6-15(7-5-14)25(3)13(2)26/h4-11,23-24H,1-3H3
InChIKey
YHHUQUILBRTPTF-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

13754
Patents

345.15897 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.166246 182.0
[M+Na]+ 368.148188 191.0
[M-H]- 344.151694 187.7
[M+NH4]+ 363.192793 194.5
[M+K]+ 384.122128 184.8
[M+H-H2O]+ 328.156230 171.8
[M+HCOO]- 390.157171 202.4
[M+CH3COO]- 404.172821 192.2
[M+Na-2H]- 366.133636 187.4
[M]+ 345.15842142 184.1
[M]- 345.15951858 184.1
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