CID 135434015

Lixazinone

Structural Information

Molecular Formula
C21H28N4O3
SMILES
CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C4NC(=O)CN4C3
InChI
InChI=1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
InChIKey
WUECXCBONAGRSA-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

1438
Patents

384.21616 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.223436 192.0
[M+Na]+ 407.205378 194.2
[M-H]- 383.208884 194.4
[M+NH4]+ 402.249983 202.0
[M+K]+ 423.179318 189.7
[M+H-H2O]+ 367.213420 181.1
[M+HCOO]- 429.214361 202.8
[M+CH3COO]- 443.230011 222.4
[M+Na-2H]- 405.190826 191.0
[M]+ 384.21561142 188.0
[M]- 384.21670858 188.0
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