CID 365094

Nsc632119

Structural Information

Molecular Formula
C31H38N2O2
SMILES
CCCCCCCCCCCC1=C2C(=CC3=C1NC4=C(O3)C=CC(=C4)C)NC5=C(O2)C=CC(=C5)C
InChI
InChI=1S/C31H38N2O2/c1-4-5-6-7-8-9-10-11-12-13-23-30-29(34-27-16-14-22(3)19-25(27)33-30)20-26-31(23)35-28-17-15-21(2)18-24(28)32-26/h14-20,32-33H,4-13H2,1-3H3
InChIKey
HWYROWVLUHOFOM-UHFFFAOYSA-N
Compound name
2,9-dimethyl-6-undecyl-7,14-dihydro-[1,4]benzoxazino[2,3-b]phenoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.29333 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.30061 226.2
[M+Na]+ 493.28255 235.2
[M-H]- 469.28605 228.8
[M+NH4]+ 488.32715 232.0
[M+K]+ 509.25649 227.0
[M+H-H2O]+ 453.29059 213.4
[M+HCOO]- 515.29153 236.7
[M+CH3COO]- 529.30718 232.4
[M+Na-2H]- 491.26800 230.9
[M]+ 470.29278 233.7
[M]- 470.29388 233.7
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

No patent data available for this compound.