CID 478553

(1-phenylbut-3-enyl)-o-tolyl-amine

Structural Information

Molecular Formula
C17H19N
SMILES
CC1=CC=CC=C1NC(CC=C)C2=CC=CC=C2
InChI
InChI=1S/C17H19N/c1-3-9-17(15-11-5-4-6-12-15)18-16-13-8-7-10-14(16)2/h3-8,10-13,17-18H,1,9H2,2H3
InChIKey
HXGAZNFJBWIIRL-UHFFFAOYSA-N
Compound name
2-methyl-N-(1-phenylbut-3-enyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.15175 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.159026 156.4
[M+Na]+ 260.140968 161.8
[M-H]- 236.144474 162.5
[M+NH4]+ 255.185573 173.5
[M+K]+ 276.114908 157.0
[M+H-H2O]+ 220.149010 148.6
[M+HCOO]- 282.149951 180.0
[M+CH3COO]- 296.165601 197.1
[M+Na-2H]- 258.126416 161.3
[M]+ 237.15120142 154.9
[M]- 237.15229858 154.9
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

No patent data available for this compound.