CID 123473

P-methylbenzylidene p-butylaniline

Structural Information

Molecular Formula
C18H21N
SMILES
CCCCC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C
InChI
InChI=1S/C18H21N/c1-3-4-5-16-10-12-18(13-11-16)19-14-17-8-6-15(2)7-9-17/h6-14H,3-5H2,1-2H3
InChIKey
KCHFMTRVJWKQAC-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-1-(4-methylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

251.1674 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17468 160.3
[M+Na]+ 274.15662 167.1
[M-H]- 250.16012 168.0
[M+NH4]+ 269.20122 178.1
[M+K]+ 290.13056 162.5
[M+H-H2O]+ 234.16466 152.1
[M+HCOO]- 296.16560 186.1
[M+CH3COO]- 310.18125 202.3
[M+Na-2H]- 272.14207 165.6
[M]+ 251.16685 162.0
[M]- 251.16795 162.0
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