CID 3025324

Brn 0898104

Structural Information

Molecular Formula
C20H24N4O
SMILES
CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C20H24N4O/c1-23(2)12-13-24(14-16-8-10-17(25-3)11-9-16)20-18-6-4-5-7-19(18)21-15-22-20/h4-11,15H,12-14H2,1-3H3
InChIKey
BECBKJSFVHDWON-UHFFFAOYSA-N
Compound name
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.195 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.202276 182.2
[M+Na]+ 359.184218 187.6
[M-H]- 335.187724 189.0
[M+NH4]+ 354.228823 194.3
[M+K]+ 375.158158 184.3
[M+H-H2O]+ 319.192260 170.5
[M+HCOO]- 381.193201 204.6
[M+CH3COO]- 395.208851 223.6
[M+Na-2H]- 357.169666 188.5
[M]+ 336.19445142 186.1
[M]- 336.19554858 186.1
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

No patent data available for this compound.