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]+ 238.15903 156.4
[M+Na]+ 260.14097 161.8
[M-H]- 236.14447 162.5
[M+NH4]+ 255.18557 173.5
[M+K]+ 276.11491 157.0
[M+H-H2O]+ 220.14901 148.6
[M+HCOO]- 282.14995 180.0
[M+CH3COO]- 296.16560 197.1
[M+Na-2H]- 258.12642 161.3
[M]+ 237.15120 154.9
[M]- 237.15230 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.