CID 137498152

Bms-986299

Structural Information

Molecular Formula
C18H19N7O
SMILES
CCN(CC1=NC2=C(N1)C(=NC3=C2C=CC(=C3)C4=CC=NN4)N)C(=O)C
InChI
InChI=1S/C18H19N7O/c1-3-25(10(2)26)9-15-22-16-12-5-4-11(13-6-7-20-24-13)8-14(12)21-18(19)17(16)23-15/h4-8H,3,9H2,1-2H3,(H2,19,21)(H,20,24)(H,22,23)
InChIKey
UHNRLQRZRNKOKU-UHFFFAOYSA-N
Compound name
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18718
Patents

349.1651 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17238 181.3
[M+Na]+ 372.15432 191.4
[M-H]- 348.15782 184.2
[M+NH4]+ 367.19892 192.1
[M+K]+ 388.12826 184.7
[M+H-H2O]+ 332.16236 171.5
[M+HCOO]- 394.16330 200.0
[M+CH3COO]- 408.17895 190.9
[M+Na-2H]- 370.13977 184.5
[M]+ 349.16455 183.6
[M]- 349.16565 183.6
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