CID 59194549

1357066-21-7

Structural Information

Molecular Formula
C27H18N4O
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4OC5=CC=CC=C53)C6=CC=CC=C6
InChI
InChI=1S/C27H18N4O/c1-3-11-19(12-4-1)25-28-26(20-13-5-2-6-14-20)30-27(29-25)31-21-15-7-9-17-23(21)32-24-18-10-8-16-22(24)31/h1-18H
InChIKey
ITKOYYRLOGYUQY-UHFFFAOYSA-N
Compound name
10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

414.14807 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15535 204.7
[M+Na]+ 437.13729 212.9
[M-H]- 413.14079 213.1
[M+NH4]+ 432.18189 208.1
[M+K]+ 453.11123 204.0
[M+H-H2O]+ 397.14533 188.4
[M+HCOO]- 459.14627 217.4
[M+CH3COO]- 473.16192 211.7
[M+Na-2H]- 435.12274 211.7
[M]+ 414.14752 202.7
[M]- 414.14862 202.7
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

patents stripe