CID 23729147

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

Structural Information

Molecular Formula
C21H24FN5O
SMILES
C1CN(CCC1COC2=CC=CC3=C2C(=NC(=N3)N)N)CC4=CC=CC=C4F
InChI
InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
InChIKey
GYKIQIOWVKCVBP-UHFFFAOYSA-N
Compound name
5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

381.1965 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.20378 193.6
[M+Na]+ 404.18572 199.6
[M-H]- 380.18922 197.1
[M+NH4]+ 399.23032 200.7
[M+K]+ 420.15966 191.8
[M+H-H2O]+ 364.19376 180.2
[M+HCOO]- 426.19470 207.9
[M+CH3COO]- 440.21035 200.5
[M+Na-2H]- 402.17117 195.5
[M]+ 381.19595 187.5
[M]- 381.19705 187.5
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