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]+ 285.19615 169.2
[M+Na]+ 307.17809 173.2
[M-H]- 283.18159 176.3
[M+NH4]+ 302.22269 184.6
[M+K]+ 323.15203 170.2
[M+H-H2O]+ 267.18613 160.0
[M+HCOO]- 329.18707 194.9
[M+CH3COO]- 343.20272 210.4
[M+Na-2H]- 305.16354 174.3
[M]+ 284.18832 171.2
[M]- 284.18942 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