CID 15991588

6,7-dimethoxy-4-[(3r)-3-(2-naphthyloxy)pyrrolidin-1-yl]quinazoline

Structural Information

Molecular Formula
C24H23N3O3
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CC[C@H](C3)OC4=CC5=CC=CC=C5C=C4)OC
InChI
InChI=1S/C24H23N3O3/c1-28-22-12-20-21(13-23(22)29-2)25-15-26-24(20)27-10-9-19(14-27)30-18-8-7-16-5-3-4-6-17(16)11-18/h3-8,11-13,15,19H,9-10,14H2,1-2H3/t19-/m1/s1
InChIKey
UPTQSRGSSJRBKJ-LJQANCHMSA-N
Compound name
6,7-dimethoxy-4-[(3R)-3-naphthalen-2-yloxypyrrolidin-1-yl]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

401.17395 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18123 198.0
[M+Na]+ 424.16317 206.6
[M-H]- 400.16667 205.7
[M+NH4]+ 419.20777 207.9
[M+K]+ 440.13711 200.2
[M+H-H2O]+ 384.17121 185.4
[M+HCOO]- 446.17215 214.9
[M+CH3COO]- 460.18780 207.1
[M+Na-2H]- 422.14862 200.8
[M]+ 401.17340 201.6
[M]- 401.17450 201.6
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