CID 509539

Chembl566392

Structural Information

Molecular Formula
C14H19N5O
SMILES
C1COCCN1CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C14H19N5O/c15-11-1-2-13-12(9-11)14(18-10-17-13)16-3-4-19-5-7-20-8-6-19/h1-2,9-10H,3-8,15H2,(H,16,17,18)
InChIKey
QXBHQILOKRSYTG-UHFFFAOYSA-N
Compound name
4-N-(2-morpholin-4-ylethyl)quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.15897 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16625 163.6
[M+Na]+ 296.14819 168.9
[M-H]- 272.15169 166.3
[M+NH4]+ 291.19279 174.1
[M+K]+ 312.12213 165.1
[M+H-H2O]+ 256.15623 152.7
[M+HCOO]- 318.15717 180.1
[M+CH3COO]- 332.17282 172.8
[M+Na-2H]- 294.13364 171.1
[M]+ 273.15842 159.2
[M]- 273.15952 159.2
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

No patent data available for this compound.