CID 6900442

305352-69-6

Structural Information

Molecular Formula
C24H18N4O
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CN4C=NC5=CC=CC=C54
InChI
InChI=1S/C24H18N4O/c29-24(15-28-16-25-22-11-5-6-12-23(22)28)27-26-14-21-19-9-3-1-7-17(19)13-18-8-2-4-10-20(18)21/h1-14,16H,15H2,(H,27,29)/b26-14+
InChIKey
MUTBXJZISBTZSS-VULFUBBASA-N
Compound name
N-[(E)-anthracen-9-ylmethylideneamino]-2-(benzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.14807 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15535 188.1
[M+Na]+ 401.13729 197.4
[M-H]- 377.14079 196.6
[M+NH4]+ 396.18189 201.5
[M+K]+ 417.11123 189.6
[M+H-H2O]+ 361.14533 176.8
[M+HCOO]- 423.14627 211.8
[M+CH3COO]- 437.16192 198.6
[M+Na-2H]- 399.12274 197.1
[M]+ 378.14752 191.9
[M]- 378.14862 191.9
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.