CID 24978486

5-{[1-(2,3-dichlorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine

Structural Information

Molecular Formula
C21H23Cl2N5O
SMILES
C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)
InChIKey
XVLUVRFYGVJKGJ-UHFFFAOYSA-N
Compound name
5-[[1-[(2,3-dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

431.12796 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13524 202.7
[M+Na]+ 454.11718 210.4
[M-H]- 430.12068 206.6
[M+NH4]+ 449.16178 209.5
[M+K]+ 470.09112 201.6
[M+H-H2O]+ 414.12522 191.1
[M+HCOO]- 476.12616 208.4
[M+CH3COO]- 490.14181 209.3
[M+Na-2H]- 452.10263 203.1
[M]+ 431.12741 201.8
[M]- 431.12851 201.8
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