CID 141503

N,n'-terephthalylidenebis(4-butylaniline)

Structural Information

Molecular Formula
C28H32N2
SMILES
CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CCCC
InChI
InChI=1S/C28H32N2/c1-3-5-7-23-13-17-27(18-14-23)29-21-25-9-11-26(12-10-25)22-30-28-19-15-24(16-20-28)8-6-4-2/h9-22H,3-8H2,1-2H3
InChIKey
OWDOPPGNUYIHFQ-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-1-[4-[(4-butylphenyl)iminomethyl]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

396.25656 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.26384 203.5
[M+Na]+ 419.24578 207.8
[M-H]- 395.24928 214.3
[M+NH4]+ 414.29038 215.0
[M+K]+ 435.21972 200.4
[M+H-H2O]+ 379.25382 191.6
[M+HCOO]- 441.25476 229.5
[M+CH3COO]- 455.27041 234.9
[M+Na-2H]- 417.23123 205.7
[M]+ 396.25601 206.3
[M]- 396.25711 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe