CID 633683

Fluorescent brightener 236

Structural Information

Molecular Formula
C25H15N3O2
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)N4N=C5C=CC6=CC=CC=C6C5=N4)OC2=O
InChI
InChI=1S/C25H15N3O2/c29-25-21(16-6-2-1-3-7-16)14-18-10-12-19(15-23(18)30-25)28-26-22-13-11-17-8-4-5-9-20(17)24(22)27-28/h1-15H
InChIKey
ZHMDPDYBWDMLGE-UHFFFAOYSA-N
Compound name
7-benzo[e]benzotriazol-2-yl-3-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

246
Patents

389.11642 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12370 194.3
[M+Na]+ 412.10564 207.4
[M-H]- 388.10914 204.7
[M+NH4]+ 407.15024 204.3
[M+K]+ 428.07958 199.5
[M+H-H2O]+ 372.11368 181.7
[M+HCOO]- 434.11462 213.3
[M+CH3COO]- 448.13027 205.0
[M+Na-2H]- 410.09109 201.7
[M]+ 389.11587 199.3
[M]- 389.11697 199.3
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