CID 4099876

4-n,n-bis(4-methylphenyl)-amino-benzaldehyde-n,n-diphenylhydrazone

Structural Information

Molecular Formula
C33H29N3
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)C=NN(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H29N3/c1-5-13-29(14-6-1)26-35(27-30-15-7-2-8-16-30)31-23-21-28(22-24-31)25-34-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-25H,26-27H2
InChIKey
IRKBOPBCDTWDDY-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-4-[(diphenylhydrazinylidene)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

384
Patents

467.23615 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.24343 217.1
[M+Na]+ 490.22537 218.0
[M-H]- 466.22887 233.3
[M+NH4]+ 485.26997 223.2
[M+K]+ 506.19931 211.2
[M+H-H2O]+ 450.23341 202.1
[M+HCOO]- 512.23435 242.9
[M+CH3COO]- 526.25000 224.3
[M+Na-2H]- 488.21082 221.6
[M]+ 467.23560 215.3
[M]- 467.23670 215.3
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