CID 24208910

853310-75-5

Structural Information

Molecular Formula
C23H21N3O
SMILES
COC1=CC=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C23H21N3O/c1-27-19-13-11-17(12-14-19)15-16-24-23-20-9-5-6-10-21(20)25-22(26-23)18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,25,26)
InChIKey
LWMMOUIVKYYTLT-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)ethyl]-2-phenylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

355.16846 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17574 186.8
[M+Na]+ 378.15768 193.7
[M-H]- 354.16118 194.1
[M+NH4]+ 373.20228 196.8
[M+K]+ 394.13162 186.3
[M+H-H2O]+ 338.16572 174.5
[M+HCOO]- 400.16666 207.2
[M+CH3COO]- 414.18231 196.1
[M+Na-2H]- 376.14313 193.9
[M]+ 355.16791 187.4
[M]- 355.16901 187.4
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