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]+ 337.20228 182.2
[M+Na]+ 359.18422 187.6
[M-H]- 335.18772 189.0
[M+NH4]+ 354.22882 194.3
[M+K]+ 375.15816 184.3
[M+H-H2O]+ 319.19226 170.5
[M+HCOO]- 381.19320 204.6
[M+CH3COO]- 395.20885 223.6
[M+Na-2H]- 357.16967 188.5
[M]+ 336.19445 186.1
[M]- 336.19555 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.