CID 383780

Nsc672227

Structural Information

Molecular Formula
C28H31N3O
SMILES
CN(C)C1=C2C(=CC=C3C2=C(CCC34C=CC(=O)C5=C4C=CC=C5N(C)C)C=C1)N(C)C
InChI
InChI=1S/C28H31N3O/c1-29(2)21-9-7-8-19-26(21)24(32)15-17-28(19)16-14-18-10-12-22(30(3)4)27-23(31(5)6)13-11-20(28)25(18)27/h7-13,15,17H,14,16H2,1-6H3
InChIKey
BUCXQKQWSZDMOG-UHFFFAOYSA-N
Compound name
6,7,8'-tris(dimethylamino)spiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.2467 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.25398 204.9
[M+Na]+ 448.23592 210.4
[M-H]- 424.23942 214.9
[M+NH4]+ 443.28052 220.9
[M+K]+ 464.20986 207.0
[M+H-H2O]+ 408.24396 193.1
[M+HCOO]- 470.24490 222.9
[M+CH3COO]- 484.26055 213.8
[M+Na-2H]- 446.22137 208.2
[M]+ 425.24615 207.1
[M]- 425.24725 207.1
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.