CID 24212506

853344-14-6

Structural Information

Molecular Formula
C20H22N4
SMILES
C1CCN(C1)CCNC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C20H22N4/c1-2-8-16(9-3-1)19-22-18-11-5-4-10-17(18)20(23-19)21-12-15-24-13-6-7-14-24/h1-5,8-11H,6-7,12-15H2,(H,21,22,23)
InChIKey
WQQOFYNHQPRAIT-UHFFFAOYSA-N
Compound name
2-phenyl-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

318.18445 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.19173 175.3
[M+Na]+ 341.17367 180.8
[M-H]- 317.17717 180.9
[M+NH4]+ 336.21827 187.2
[M+K]+ 357.14761 173.8
[M+H-H2O]+ 301.18171 163.5
[M+HCOO]- 363.18265 193.6
[M+CH3COO]- 377.19830 184.4
[M+Na-2H]- 339.15912 179.8
[M]+ 318.18390 172.0
[M]- 318.18500 172.0
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