CID 11107860

(s)-2-dibenzylamino-propionaldehyde

Structural Information

Molecular Formula
C17H19NO
SMILES
C[C@@H](C=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C17H19NO/c1-15(14-19)18(12-16-8-4-2-5-9-16)13-17-10-6-3-7-11-17/h2-11,14-15H,12-13H2,1H3/t15-/m0/s1
InChIKey
GFYXFRCVQSKSDO-HNNXBMFYSA-N
Compound name
(2S)-2-(dibenzylamino)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

253.14667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.153946 160.4
[M+Na]+ 276.135888 164.9
[M-H]- 252.139394 167.6
[M+NH4]+ 271.180493 177.1
[M+K]+ 292.109828 162.0
[M+H-H2O]+ 236.143930 151.9
[M+HCOO]- 298.144871 184.7
[M+CH3COO]- 312.160521 201.4
[M+Na-2H]- 274.121336 165.2
[M]+ 253.14612142 161.1
[M]- 253.14721858 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

literature stripe

Patent stripe

patents stripe