CID 2949965

Importazole

Structural Information

Molecular Formula
C20H22N4
SMILES
CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCC4
InChI
InChI=1S/C20H22N4/c1-15(16-9-3-2-4-10-16)21-19-17-11-5-6-12-18(17)22-20(23-19)24-13-7-8-14-24/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,21,22,23)
InChIKey
HKGJEZIGDHFJFL-UHFFFAOYSA-N
Compound name
N-(1-phenylethyl)-2-pyrrolidin-1-ylquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

78
Patents

318.18445 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19173 175.8
[M+Na]+ 341.17367 180.9
[M-H]- 317.17717 181.6
[M+NH4]+ 336.21827 187.6
[M+K]+ 357.14761 174.5
[M+H-H2O]+ 301.18171 164.2
[M+HCOO]- 363.18265 193.1
[M+CH3COO]- 377.19830 184.8
[M+Na-2H]- 339.15912 179.2
[M]+ 318.18390 171.9
[M]- 318.18500 171.9
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