CID 55219210

2-[(2-aminophenyl)amino]-3-phenylpropan-1-ol

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1=CC=C(C=C1)CC(CO)NC2=CC=CC=C2N
InChI
InChI=1S/C15H18N2O/c16-14-8-4-5-9-15(14)17-13(11-18)10-12-6-2-1-3-7-12/h1-9,13,17-18H,10-11,16H2
InChIKey
CKIJJUWZUOYYAR-UHFFFAOYSA-N
Compound name
2-(2-aminoanilino)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

242.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 155.7
[M+Na]+ 265.131118 160.3
[M-H]- 241.134624 160.2
[M+NH4]+ 260.175723 171.2
[M+K]+ 281.105058 155.9
[M+H-H2O]+ 225.139160 147.9
[M+HCOO]- 287.140101 178.9
[M+CH3COO]- 301.155751 195.9
[M+Na-2H]- 263.116566 160.6
[M]+ 242.14135142 152.0
[M]- 242.14244858 152.0
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