CID 298711

Nsc171022

Structural Information

Molecular Formula
C18H21NO
SMILES
CCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C
InChI
InChI=1S/C18H21NO/c1-3-4-13-20-18-11-7-16(8-12-18)14-19-17-9-5-15(2)6-10-17/h5-12,14H,3-4,13H2,1-2H3
InChIKey
DAZXLRVNORTXSI-UHFFFAOYSA-N
Compound name
1-(4-butoxyphenyl)-N-(4-methylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

267.16232 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 164.0
[M+Na]+ 290.151538 170.6
[M-H]- 266.155044 171.7
[M+NH4]+ 285.196143 181.0
[M+K]+ 306.125478 166.6
[M+H-H2O]+ 250.159580 155.5
[M+HCOO]- 312.160521 190.0
[M+CH3COO]- 326.176171 204.3
[M+Na-2H]- 288.136986 169.2
[M]+ 267.16177142 167.0
[M]- 267.16286858 167.0
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