CID 10021885

73963-62-9

Structural Information

Molecular Formula
C20H25N5O2
SMILES
C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)C=C4
InChI
InChI=1S/C20H25N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h9-12,14,16H,1-8,13H2,(H,21,26)
InChIKey
GHALECSGOJQOHW-UHFFFAOYSA-N
Compound name
6-[4-(1-cyclohexyltetrazol-5-yl)butoxy]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

18
Patents

367.20084 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20812 188.9
[M+Na]+ 390.19006 195.4
[M-H]- 366.19356 190.9
[M+NH4]+ 385.23466 195.6
[M+K]+ 406.16400 187.8
[M+H-H2O]+ 350.19810 175.9
[M+HCOO]- 412.19904 202.1
[M+CH3COO]- 426.21469 196.1
[M+Na-2H]- 388.17551 191.2
[M]+ 367.20029 187.6
[M]- 367.20139 187.6
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