CID 161931

37060-36-9

Structural Information

Molecular Formula
C27H31N3O2
SMILES
CCN(CC)C1=CC2=C(C=C1)N(C3=C(O2)C=C(C=C3)N(CC)CC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H31N3O2/c1-5-28(6-2)21-14-16-23-25(18-21)32-26-19-22(29(7-3)8-4)15-17-24(26)30(23)27(31)20-12-10-9-11-13-20/h9-19H,5-8H2,1-4H3
InChIKey
RWPXSXGJVDDPFE-UHFFFAOYSA-N
Compound name
[3,7-bis(diethylamino)phenoxazin-10-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

312
Patents

429.24164 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.24892 210.9
[M+Na]+ 452.23086 215.1
[M-H]- 428.23436 219.8
[M+NH4]+ 447.27546 220.0
[M+K]+ 468.20480 212.1
[M+H-H2O]+ 412.23890 198.7
[M+HCOO]- 474.23984 228.5
[M+CH3COO]- 488.25549 243.8
[M+Na-2H]- 450.21631 212.9
[M]+ 429.24109 214.9
[M]- 429.24219 214.9
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.