CID 9837994

65514-97-8

Structural Information

Molecular Formula
C16H20N2O
SMILES
CN(CC1=CC=CC=C1N)CC(C2=CC=CC=C2)O
InChI
InChI=1S/C16H20N2O/c1-18(11-14-9-5-6-10-15(14)17)12-16(19)13-7-3-2-4-8-13/h2-10,16,19H,11-12,17H2,1H3
InChIKey
DVGIYWMJXYCEFJ-UHFFFAOYSA-N
Compound name
2-[(2-aminophenyl)methyl-methylamino]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

256.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 161.1
[M+Na]+ 279.146778 165.4
[M-H]- 255.150284 166.8
[M+NH4]+ 274.191383 176.7
[M+K]+ 295.120718 162.2
[M+H-H2O]+ 239.154820 152.9
[M+HCOO]- 301.155761 184.4
[M+CH3COO]- 315.171411 202.2
[M+Na-2H]- 277.132226 164.6
[M]+ 256.15701142 159.0
[M]- 256.15810858 159.0
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