CID 47703

Benzylamine, o-(3-(dimethylamino)propoxy)-n-phenyl-

Structural Information

Molecular Formula
C18H24N2O
SMILES
CN(C)CCCOC1=CC=CC=C1CNC2=CC=CC=C2
InChI
InChI=1S/C18H24N2O/c1-20(2)13-8-14-21-18-12-7-6-9-16(18)15-19-17-10-4-3-5-11-17/h3-7,9-12,19H,8,13-15H2,1-2H3
InChIKey
LSBJGAUOVKYKQW-UHFFFAOYSA-N
Compound name
N-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

284.18887 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.196146 169.2
[M+Na]+ 307.178088 173.2
[M-H]- 283.181594 176.3
[M+NH4]+ 302.222693 184.6
[M+K]+ 323.152028 170.2
[M+H-H2O]+ 267.186130 160.0
[M+HCOO]- 329.187071 194.9
[M+CH3COO]- 343.202721 210.4
[M+Na-2H]- 305.163536 174.3
[M]+ 284.18832142 171.2
[M]- 284.18941858 171.2
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