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

5
Patents

318.18445 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.191726 175.3
[M+Na]+ 341.173668 180.8
[M-H]- 317.177174 180.9
[M+NH4]+ 336.218273 187.2
[M+K]+ 357.147608 173.8
[M+H-H2O]+ 301.181710 163.5
[M+HCOO]- 363.182651 193.6
[M+CH3COO]- 377.198301 184.4
[M+Na-2H]- 339.159116 179.8
[M]+ 318.18390142 172.0
[M]- 318.18499858 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