CID 23877337

802577-51-1

Structural Information

Molecular Formula
C20H24N4
SMILES
CCN(CC)CCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C20H24N4/c1-3-24(4-2)15-14-21-20-17-12-8-9-13-18(17)22-19(23-20)16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3,(H,21,22,23)
InChIKey
KVFGFYCJHWRPGD-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

320.2001 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20738 178.4
[M+Na]+ 343.18932 183.9
[M-H]- 319.19282 183.7
[M+NH4]+ 338.23392 190.7
[M+K]+ 359.16326 178.6
[M+H-H2O]+ 303.19736 167.2
[M+HCOO]- 365.19830 200.2
[M+CH3COO]- 379.21395 188.1
[M+Na-2H]- 341.17477 185.4
[M]+ 320.19955 179.7
[M]- 320.20065 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe