CID 509552

Chembl571919

Structural Information

Molecular Formula
C18H19N5O
SMILES
CC(=O)NC1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C18H19N5O/c1-12(24)23-15-5-2-13(3-6-15)8-9-20-18-16-10-14(19)4-7-17(16)21-11-22-18/h2-7,10-11H,8-9,19H2,1H3,(H,23,24)(H,20,21,22)
InChIKey
LYNLFXGWTWMRIV-UHFFFAOYSA-N
Compound name
N-[4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

321.15897 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16625 175.2
[M+Na]+ 344.14819 181.6
[M-H]- 320.15169 179.7
[M+NH4]+ 339.19279 186.5
[M+K]+ 360.12213 175.9
[M+H-H2O]+ 304.15623 164.8
[M+HCOO]- 366.15717 197.2
[M+CH3COO]- 380.17282 184.8
[M+Na-2H]- 342.13364 182.0
[M]+ 321.15842 173.7
[M]- 321.15952 173.7
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