CID 137549752

Bnt411

Structural Information

Molecular Formula
C24H33N5O3
SMILES
CC(=O)N(CCCCN1C(=NC2=C1C3=CC=CC=C3N=C2N)CCOC)C4CCOCC4
InChI
InChI=1S/C24H33N5O3/c1-17(30)28(18-9-15-32-16-10-18)12-5-6-13-29-21(11-14-31-2)27-22-23(29)19-7-3-4-8-20(19)26-24(22)25/h3-4,7-8,18H,5-6,9-16H2,1-2H3,(H2,25,26)
InChIKey
MOTWRGZBKMOCKM-UHFFFAOYSA-N
Compound name
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(oxan-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

439.25833 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.26561 209.2
[M+Na]+ 462.24755 213.4
[M-H]- 438.25105 214.2
[M+NH4]+ 457.29215 216.4
[M+K]+ 478.22149 209.8
[M+H-H2O]+ 422.25559 197.5
[M+HCOO]- 484.25653 224.0
[M+CH3COO]- 498.27218 239.0
[M+Na-2H]- 460.23300 209.4
[M]+ 439.25778 212.3
[M]- 439.25888 212.3
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