CID 57339806

Tc-34

Structural Information

Molecular Formula
C20H23N3O2
SMILES
CC(C)NC1=NC(=NC2=C1C=C(C=C2)C=CC(C)(C)O)C3=CC=CO3
InChI
InChI=1S/C20H23N3O2/c1-13(2)21-18-15-12-14(9-10-20(3,4)24)7-8-16(15)22-19(23-18)17-6-5-11-25-17/h5-13,24H,1-4H3,(H,21,22,23)
InChIKey
INWQHHRLNZWEFG-UHFFFAOYSA-N
Compound name
4-[2-(furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

337.17902 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18630 182.3
[M+Na]+ 360.16824 195.5
[M+NH4]+ 355.21284 188.6
[M+K]+ 376.14218 191.1
[M-H]- 336.17174 186.2
[M+Na-2H]- 358.15369 188.4
[M]+ 337.17847 185.3
[M]- 337.17957 185.3
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