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

18720
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

literature stripe

Patent stripe

patents stripe