CID 170691

Einecs 255-965-2

Structural Information

Molecular Formula
C29H20N4O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2C=NC3=C(C=C4C(=C3)NC(=O)N4)N=CC5=C(C=CC6=CC=CC=C65)O)O
InChI
InChI=1S/C29H20N4O3/c34-27-11-9-17-5-1-3-7-19(17)21(27)15-30-23-13-25-26(33-29(36)32-25)14-24(23)31-16-22-20-8-4-2-6-18(20)10-12-28(22)35/h1-16,34-35H,(H2,32,33,36)
InChIKey
ABPZIVDVBYQVBG-UHFFFAOYSA-N
Compound name
5,6-bis[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

472.15353 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.16081 217.1
[M+Na]+ 495.14275 235.4
[M+NH4]+ 490.18735 223.9
[M+K]+ 511.11669 226.4
[M-H]- 471.14625 224.8
[M+Na-2H]- 493.12820 226.1
[M]+ 472.15298 222.0
[M]- 472.15408 222.0
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