CID 3062350

Propiophenone, 2'-amino-3-(benzylamino)-, monohydrochloride

Structural Information

Molecular Formula
C16H18N2O
SMILES
C1=CC=C(C=C1)CNCCC(=O)C2=CC=CC=C2N
InChI
InChI=1S/C16H18N2O/c17-15-9-5-4-8-14(15)16(19)10-11-18-12-13-6-2-1-3-7-13/h1-9,18H,10-12,17H2
InChIKey
SCIUZRSIIMFZHW-UHFFFAOYSA-N
Compound name
1-(2-aminophenyl)-3-(benzylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

254.1419 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.149176 159.3
[M+Na]+ 277.131118 164.2
[M-H]- 253.134624 165.0
[M+NH4]+ 272.175723 175.0
[M+K]+ 293.105058 159.8
[M+H-H2O]+ 237.139160 151.1
[M+HCOO]- 299.140101 183.9
[M+CH3COO]- 313.155751 200.5
[M+Na-2H]- 275.116566 164.1
[M]+ 254.14135142 157.1
[M]- 254.14244858 157.1
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