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

329
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

literature stripe

Patent stripe

patents stripe