CID 14517898

Pyrene-3-aldehyde-n,n-diphenylhydrazone

Structural Information

Molecular Formula
C29H20N2
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)/N=C/C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3
InChI
InChI=1S/C29H20N2/c1-3-10-25(11-4-1)31(26-12-5-2-6-13-26)30-20-24-17-16-23-15-14-21-8-7-9-22-18-19-27(24)29(23)28(21)22/h1-20H/b30-20+
InChIKey
XFJPUTGGRPTSHI-TWKHWXDSSA-N
Compound name
N-phenyl-N-[(E)-pyren-1-ylmethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

396.16266 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16994 195.3
[M+Na]+ 419.15188 201.5
[M-H]- 395.15538 207.3
[M+NH4]+ 414.19648 208.7
[M+K]+ 435.12582 193.9
[M+H-H2O]+ 379.15992 182.1
[M+HCOO]- 441.16086 217.9
[M+CH3COO]- 455.17651 204.8
[M+Na-2H]- 417.13733 205.2
[M]+ 396.16211 197.3
[M]- 396.16321 197.3
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