CID 53258905

1005504-62-0

Structural Information

Molecular Formula
C21H23Cl2N5O
SMILES
C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C21H23Cl2N5O/c22-15-3-1-4-16(23)14(15)11-28-9-7-13(8-10-28)12-29-18-6-2-5-17-19(18)20(24)27-21(25)26-17/h1-6,13H,7-12H2,(H4,24,25,26,27)
InChIKey
MNLHFGXIUJNDAF-UHFFFAOYSA-N
Compound name
5-[[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
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 202.6
[M+Na]+ 454.11718 218.5
[M+NH4]+ 449.16178 210.2
[M+K]+ 470.09112 208.6
[M-H]- 430.12068 209.2
[M+Na-2H]- 452.10263 210.2
[M]+ 431.12741 207.3
[M]- 431.12851 207.3
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