CID 429086

Nsc247453

Structural Information

Molecular Formula
C26H25NO
SMILES
CC(C)(C)C1C2N1C3(C4=CC=CC=C4C2(O3)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C26H25NO/c1-24(2,3)22-23-25(18-12-6-4-7-13-18)20-16-10-11-17-21(20)26(28-25,27(22)23)19-14-8-5-9-15-19/h4-17,22-23H,1-3H3
InChIKey
SXERUGHNZURFDC-UHFFFAOYSA-N
Compound name
10-tert-butyl-1,8-diphenyl-12-oxa-9-azatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1936 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20088 190.1
[M+Na]+ 390.18282 201.4
[M-H]- 366.18632 200.9
[M+NH4]+ 385.22742 205.8
[M+K]+ 406.15676 196.4
[M+H-H2O]+ 350.19086 182.7
[M+HCOO]- 412.19180 204.9
[M+CH3COO]- 426.20745 200.8
[M+Na-2H]- 388.16827 194.7
[M]+ 367.19305 195.9
[M]- 367.19415 195.9
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

No patent data available for this compound.