CID 16760588

Jsh-23

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=CC(=C(C=C1)NCCCC2=CC=CC=C2)N
InChI
InChI=1S/C16H20N2/c1-13-9-10-16(15(17)12-13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18H,5,8,11,17H2,1H3
InChIKey
YMFNPBSZFWXMAD-UHFFFAOYSA-N
Compound name
4-methyl-1-N-(3-phenylpropyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

59
References

940
Patents

240.16264 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 158.4
[M+Na]+ 263.15186 171.9
[M+NH4]+ 258.19646 167.6
[M+K]+ 279.12580 163.0
[M-H]- 239.15536 164.9
[M+Na-2H]- 261.13731 168.0
[M]+ 240.16209 162.2
[M]- 240.16319 162.2
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