CID 23507200

4-{[benzyl(propyl)amino]methyl}aniline

Structural Information

Molecular Formula
C17H22N2
SMILES
CCCN(CC1=CC=CC=C1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C17H22N2/c1-2-12-19(13-15-6-4-3-5-7-15)14-16-8-10-17(18)11-9-16/h3-11H,2,12-14,18H2,1H3
InChIKey
KUVPIBUYOKRJFX-UHFFFAOYSA-N
Compound name
4-[[benzyl(propyl)amino]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

254.1783 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18558 161.7
[M+Na]+ 277.16752 166.4
[M-H]- 253.17102 168.6
[M+NH4]+ 272.21212 178.3
[M+K]+ 293.14146 162.7
[M+H-H2O]+ 237.17556 153.1
[M+HCOO]- 299.17650 187.0
[M+CH3COO]- 313.19215 204.7
[M+Na-2H]- 275.15297 166.4
[M]+ 254.17775 161.1
[M]- 254.17885 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe