CID 9574271

4biphn-phcon2 p

Structural Information

Molecular Formula
C26H21N3O
SMILES
C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H21N3O/c30-26(29-27-19-20-7-3-1-4-8-20)23-13-17-25(18-14-23)28-24-15-11-22(12-16-24)21-9-5-2-6-10-21/h1-19,28H,(H,29,30)/b27-19+
InChIKey
MYSCUIPLEXVHPP-ZXVVBBHZSA-N
Compound name
N-[(E)-benzylideneamino]-4-(4-phenylanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.16846 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17574 194.3
[M+Na]+ 414.15768 198.0
[M-H]- 390.16118 207.0
[M+NH4]+ 409.20228 203.6
[M+K]+ 430.13162 191.1
[M+H-H2O]+ 374.16572 182.1
[M+HCOO]- 436.16666 220.7
[M+CH3COO]- 450.18231 203.3
[M+Na-2H]- 412.14313 200.1
[M]+ 391.16791 191.6
[M]- 391.16901 191.6
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.