CID 52586

73816-79-2

Structural Information

Molecular Formula
C26H34N2O2
SMILES
C1CCC(CC1)N2CC3=C(C=CC4=C3C=CC5=C4CN(CO5)C6CCCCC6)OC2
InChI
InChI=1S/C26H34N2O2/c1-3-7-19(8-4-1)27-15-23-21-11-14-26-24(22(21)12-13-25(23)29-17-27)16-28(18-30-26)20-9-5-2-6-10-20/h11-14,19-20H,1-10,15-18H2
InChIKey
DSINOQVPRGNAEQ-UHFFFAOYSA-N
Compound name
3,9-dicyclohexyl-2,4,8,10-tetrahydro-[1,3]benzoxazino[6,5-f][1,3]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.26202 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.26930 198.9
[M+Na]+ 429.25124 198.7
[M-H]- 405.25474 205.1
[M+NH4]+ 424.29584 204.9
[M+K]+ 445.22518 194.1
[M+H-H2O]+ 389.25928 184.3
[M+HCOO]- 451.26022 200.3
[M+CH3COO]- 465.27587 203.1
[M+Na-2H]- 427.23669 198.2
[M]+ 406.26147 186.7
[M]- 406.26257 186.7
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