CID 3066761

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

Structural Information

Molecular Formula
C18H28BrN5O2
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)NC2=NCC(N2)C)Br
InChI
InChI=1S/C18H28BrN5O2/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
JXNTXSYWGOFEOU-UHFFFAOYSA-N
Compound name
5-bromo-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

3
Patents

425.14264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14992 193.7
[M+Na]+ 448.13186 200.5
[M-H]- 424.13536 199.9
[M+NH4]+ 443.17646 206.0
[M+K]+ 464.10580 188.3
[M+H-H2O]+ 408.13990 188.8
[M+HCOO]- 470.14084 212.4
[M+CH3COO]- 484.15649 230.2
[M+Na-2H]- 446.11731 193.8
[M]+ 425.14209 212.8
[M]- 425.14319 212.8
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