CID 2484

Butenafine

Structural Information

Molecular Formula
C23H27N
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H27N/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20/h5-15H,16-17H2,1-4H3
InChIKey
ABJKWBDEJIDSJZ-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

100
References

14388
Patents

317.21436 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.221636 180.3
[M+Na]+ 340.203578 186.0
[M-H]- 316.207084 188.5
[M+NH4]+ 335.248183 196.1
[M+K]+ 356.177518 181.1
[M+H-H2O]+ 300.211620 171.5
[M+HCOO]- 362.212561 201.2
[M+CH3COO]- 376.228211 216.8
[M+Na-2H]- 338.189026 185.4
[M]+ 317.21381142 181.8
[M]- 317.21490858 181.8
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