CID 5272760

Schembl9804023

Structural Information

Molecular Formula
C23H26N2O4
SMILES
CC1=NOC(=C1)CCCCCCCON2C(=O)COC3=C2C=CC4=CC=CC=C43
InChI
InChI=1S/C23H26N2O4/c1-17-15-19(29-24-17)10-5-3-2-4-8-14-28-25-21-13-12-18-9-6-7-11-20(18)23(21)27-16-22(25)26/h6-7,9,11-13,15H,2-5,8,10,14,16H2,1H3
InChIKey
AIMCQQASCDDTDL-UHFFFAOYSA-N
Compound name
4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]benzo[h][1,4]benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.18927 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.19655 196.9
[M+Na]+ 417.17849 204.8
[M-H]- 393.18199 203.5
[M+NH4]+ 412.22309 206.4
[M+K]+ 433.15243 201.3
[M+H-H2O]+ 377.18653 186.6
[M+HCOO]- 439.18747 213.1
[M+CH3COO]- 453.20312 206.4
[M+Na-2H]- 415.16394 199.9
[M]+ 394.18872 204.2
[M]- 394.18982 204.2
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