CID 102311758

1411910-25-2

Structural Information

Molecular Formula
C33H22N4O
SMILES
C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=C(C=C3)N4C5=CC=CC=C5OC6=CC=CC=C64)C7=CC=CC=C7
InChI
InChI=1S/C33H22N4O/c1-3-11-23(12-4-1)31-34-32(24-13-5-2-6-14-24)36-33(35-31)25-19-21-26(22-20-25)37-27-15-7-9-17-29(27)38-30-18-10-8-16-28(30)37/h1-22H
InChIKey
ZABORCXHTNWZRV-UHFFFAOYSA-N
Compound name
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4500
Patents

490.17935 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.18663 225.9
[M+Na]+ 513.16857 232.9
[M-H]- 489.17207 236.3
[M+NH4]+ 508.21317 225.4
[M+K]+ 529.14251 222.7
[M+H-H2O]+ 473.17661 207.4
[M+HCOO]- 535.17755 236.9
[M+CH3COO]- 549.19320 230.8
[M+Na-2H]- 511.15402 230.6
[M]+ 490.17880 222.7
[M]- 490.17990 222.7
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