CID 10022985

87153-04-6

Structural Information

Molecular Formula
C20H27N5O3
SMILES
C1CC(CCC1N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4)O
InChI
InChI=1S/C20H27N5O3/c26-16-7-5-15(6-8-16)25-19(22-23-24-25)3-1-2-12-28-17-9-10-18-14(13-17)4-11-20(27)21-18/h9-10,13,15-16,26H,1-8,11-12H2,(H,21,27)
InChIKey
KFXNZXLUGHLDBB-UHFFFAOYSA-N
Compound name
6-[4-[1-(4-hydroxycyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

11
Patents

385.2114 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.21868 195.1
[M+Na]+ 408.20062 198.9
[M-H]- 384.20412 195.1
[M+NH4]+ 403.24522 200.3
[M+K]+ 424.17456 192.0
[M+H-H2O]+ 368.20866 182.5
[M+HCOO]- 430.20960 202.8
[M+CH3COO]- 444.22525 200.3
[M+Na-2H]- 406.18607 193.4
[M]+ 385.21085 189.8
[M]- 385.21195 189.8
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