CID 415980

Schembl20535909

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
CC(C)CNCC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O
InChI
InChI=1S/C20H22ClN3O/c1-13(2)11-22-12-14-9-16(4-6-20(14)25)24-18-7-8-23-19-10-15(21)3-5-17(18)19/h3-10,13,22,25H,11-12H2,1-2H3,(H,23,24)
InChIKey
YPDFKLXVPBYLBA-UHFFFAOYSA-N
Compound name
4-[(7-chloroquinolin-4-yl)amino]-2-[(2-methylpropylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

355.14514 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15242 184.5
[M+Na]+ 378.13436 191.8
[M-H]- 354.13786 189.2
[M+NH4]+ 373.17896 196.9
[M+K]+ 394.10830 184.4
[M+H-H2O]+ 338.14240 176.0
[M+HCOO]- 400.14334 200.4
[M+CH3COO]- 414.15899 219.0
[M+Na-2H]- 376.11981 188.6
[M]+ 355.14459 186.5
[M]- 355.14569 186.5
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