CID 165082

Diethyl(5-phenylsulfonyl-9h-benzo(a)phenoxazin-9-ylidene)ammonium, nitrate

Structural Information

Molecular Formula
C26H23N2O3S
SMILES
CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)OC2=C1)CC
InChI
InChI=1S/C26H23N2O3S/c1-3-28(4-2)18-14-15-22-23(16-18)31-24-17-25(32(29,30)19-10-6-5-7-11-19)20-12-8-9-13-21(20)26(24)27-22/h5-17H,3-4H2,1-2H3/q+1
InChIKey
MTQUHUREZZMUDJ-UHFFFAOYSA-N
Compound name
[5-(benzenesulfonyl)benzo[a]phenoxazin-9-ylidene]-diethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.14294 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15022 207.7
[M+Na]+ 466.13216 216.7
[M-H]- 442.13566 217.7
[M+NH4]+ 461.17676 217.2
[M+K]+ 482.10610 205.8
[M+H-H2O]+ 426.14020 199.3
[M+HCOO]- 488.14114 221.4
[M+CH3COO]- 502.15679 227.0
[M+Na-2H]- 464.11761 218.3
[M]+ 443.14239 213.2
[M]- 443.14349 213.2
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.