CID 454716

106823-85-2

Structural Information

Molecular Formula
C18H20N4
SMILES
CN(C)CCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C18H20N4/c1-22(2)13-12-19-18-15-10-6-7-11-16(15)20-17(21-18)14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,19,20,21)
InChIKey
AKRXOIHOWVDUBX-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(2-phenylquinazolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

292.1688 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17608 169.4
[M+Na]+ 315.15802 175.9
[M-H]- 291.16152 175.2
[M+NH4]+ 310.20262 182.9
[M+K]+ 331.13196 171.0
[M+H-H2O]+ 275.16606 158.7
[M+HCOO]- 337.16700 192.0
[M+CH3COO]- 351.18265 180.1
[M+Na-2H]- 313.14347 177.5
[M]+ 292.16825 170.1
[M]- 292.16935 170.1
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