CID 23110910

337457-78-0

Structural Information

Molecular Formula
C17H13F7N4O
SMILES
C1C2=C(C=CC(=C2)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)N1NCC3=CN=CC=C3
InChI
InChI=1S/C17H13F7N4O/c18-15(16(19,20)21,17(22,23)24)12-3-4-13-11(6-12)9-28(14(29)27-13)26-8-10-2-1-5-25-7-10/h1-7,26H,8-9H2,(H,27,29)
InChIKey
HCTLNRAMSIZVOR-UHFFFAOYSA-N
Compound name
6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(pyridin-3-ylmethylamino)-1,4-dihydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

422.09775 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10503 196.1
[M+Na]+ 445.08697 204.1
[M-H]- 421.09047 189.2
[M+NH4]+ 440.13157 201.7
[M+K]+ 461.06091 195.8
[M+H-H2O]+ 405.09501 180.8
[M+HCOO]- 467.09595 199.5
[M+CH3COO]- 481.11160 223.9
[M+Na-2H]- 443.07242 200.1
[M]+ 422.09720 183.1
[M]- 422.09830 183.1
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