CID 3076803

N-(2-diethylaminoethyl)-2-methoxy-4-(4,5-dihydro-4-methylimidazol-2-ylamino)-5-chlorobenzamide

Structural Information

Molecular Formula
C18H28ClN5O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC2=NCC(N2)C)Cl
InChI
InChI=1S/C18H28ClN5O2/c1-5-24(6-2)8-7-20-17(25)13-9-14(19)15(10-16(13)26-4)23-18-21-11-12(3)22-18/h9-10,12H,5-8,11H2,1-4H3,(H,20,25)(H2,21,22,23)
InChIKey
WLOCOULHSNWBOI-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

381.19315 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20043 194.0
[M+Na]+ 404.18237 199.0
[M-H]- 380.18587 198.0
[M+NH4]+ 399.22697 205.3
[M+K]+ 420.15631 194.3
[M+H-H2O]+ 364.19041 184.8
[M+HCOO]- 426.19135 210.9
[M+CH3COO]- 440.20700 226.7
[M+Na-2H]- 402.16782 192.5
[M]+ 381.19260 197.2
[M]- 381.19370 197.2
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

patents stripe