CID 409762

Nsc23413

Structural Information

Molecular Formula
C17H16ClN3O
SMILES
C1=CC(=CC=C1C(CN)O)NC2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C17H16ClN3O/c18-12-3-6-14-15(7-8-20-16(14)9-12)21-13-4-1-11(2-5-13)17(22)10-19/h1-9,17,22H,10,19H2,(H,20,21)
InChIKey
BHQZWHNQMWUCQP-UHFFFAOYSA-N
Compound name
2-amino-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09818 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10546 170.5
[M+Na]+ 336.08740 178.3
[M-H]- 312.09090 174.9
[M+NH4]+ 331.13200 184.1
[M+K]+ 352.06134 171.2
[M+H-H2O]+ 296.09544 162.5
[M+HCOO]- 358.09638 186.9
[M+CH3COO]- 372.11203 180.7
[M+Na-2H]- 334.07285 176.0
[M]+ 313.09763 170.2
[M]- 313.09873 170.2
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

No patent data available for this compound.