CID 9589425

4-n-propyl-4'-n-octylbenzalazine

Structural Information

Molecular Formula
C25H36N2
SMILES
CCCCCCCCC1=CC=C(C=C1)/C=N/NCC2=CC=C(C=C2)CCC
InChI
InChI=1S/C25H36N2/c1-3-5-6-7-8-9-11-23-14-18-25(19-15-23)21-27-26-20-24-16-12-22(10-4-2)13-17-24/h12-19,21,26H,3-11,20H2,1-2H3/b27-21+
InChIKey
OTUQHPCOTMDXFW-SZXQPVLSSA-N
Compound name
N-[(E)-(4-octylphenyl)methylideneamino]-1-(4-propylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.28784 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.295116 195.8
[M+Na]+ 387.277058 198.5
[M-H]- 363.280564 201.9
[M+NH4]+ 382.321663 208.4
[M+K]+ 403.250998 192.1
[M+H-H2O]+ 347.285100 185.5
[M+HCOO]- 409.286041 220.1
[M+CH3COO]- 423.301691 228.1
[M+Na-2H]- 385.262506 197.6
[M]+ 364.28729142 199.1
[M]- 364.28838858 199.1
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.