CID 165080

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

Structural Information

Molecular Formula
C26H23N2OS
SMILES
CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)SC5=CC=CC=C5)OC2=C1)CC
InChI
InChI=1S/C26H23N2OS/c1-3-28(4-2)18-14-15-22-23(16-18)29-24-17-25(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
MOTRCGNVIRLGFM-UHFFFAOYSA-N
Compound name
diethyl-(5-phenylsulfanylbenzo[a]phenoxazin-9-ylidene)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1531 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16038 199.9
[M+Na]+ 434.14232 208.8
[M-H]- 410.14582 209.6
[M+NH4]+ 429.18692 211.0
[M+K]+ 450.11626 196.9
[M+H-H2O]+ 394.15036 191.3
[M+HCOO]- 456.15130 214.6
[M+CH3COO]- 470.16695 209.2
[M+Na-2H]- 432.12777 208.8
[M]+ 411.15255 204.6
[M]- 411.15365 204.6
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.