CID 11955614

Pq-10

Structural Information

Molecular Formula
C22H21N5O3
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)N3CC[C@H](C3)OC4=NC5=CC=CC=C5N=C4)OC
InChI
InChI=1S/C22H21N5O3/c1-28-19-9-15-18(10-20(19)29-2)24-13-25-22(15)27-8-7-14(12-27)30-21-11-23-16-5-3-4-6-17(16)26-21/h3-6,9-11,13-14H,7-8,12H2,1-2H3/t14-/m1/s1
InChIKey
UBIIFKJMNRPNMT-CQSZACIVSA-N
Compound name
6,7-dimethoxy-4-[(3R)-3-quinoxalin-2-yloxypyrrolidin-1-yl]quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

41
Patents

403.16443 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17171 198.2
[M+Na]+ 426.15365 207.6
[M-H]- 402.15715 203.5
[M+NH4]+ 421.19825 205.2
[M+K]+ 442.12759 200.8
[M+H-H2O]+ 386.16169 184.5
[M+HCOO]- 448.16263 212.8
[M+CH3COO]- 462.17828 206.4
[M+Na-2H]- 424.13910 201.9
[M]+ 403.16388 201.9
[M]- 403.16498 201.9
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