CID 24894149

1-[4-(aminomethyl)benzoyl]-5'-fluoro-1'h-spiro[piperidine-4,2'-quinazolin]-4'-amine

Structural Information

Molecular Formula
C20H22FN5O
SMILES
C1CN(CCC12NC3=C(C(=CC=C3)F)C(=N2)N)C(=O)C4=CC=C(C=C4)CN
InChI
InChI=1S/C20H22FN5O/c21-15-2-1-3-16-17(15)18(23)25-20(24-16)8-10-26(11-9-20)19(27)14-6-4-13(12-22)5-7-14/h1-7,24H,8-12,22H2,(H2,23,25)
InChIKey
SFPCNWQWKOUNRT-UHFFFAOYSA-N
Compound name
(4-amino-5-fluorospiro[1H-quinazoline-2,4'-piperidine]-1'-yl)-[4-(aminomethyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

367.18085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18813 188.9
[M+Na]+ 390.17007 195.0
[M-H]- 366.17357 190.4
[M+NH4]+ 385.21467 198.3
[M+K]+ 406.14401 187.2
[M+H-H2O]+ 350.17811 176.8
[M+HCOO]- 412.17905 200.1
[M+CH3COO]- 426.19470 195.4
[M+Na-2H]- 388.15552 191.4
[M]+ 367.18030 178.9
[M]- 367.18140 178.9
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