CID 30690

Hoquizil

Structural Information

Molecular Formula
C19H26N4O5
SMILES
CC(C)(COC(=O)N1CCN(CC1)C2=NC=NC3=CC(=C(C=C32)OC)OC)O
InChI
InChI=1S/C19H26N4O5/c1-19(2,25)11-28-18(24)23-7-5-22(6-8-23)17-13-9-15(26-3)16(27-4)10-14(13)20-12-21-17/h9-10,12,25H,5-8,11H2,1-4H3
InChIKey
YRTMGQYDLITGNA-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-methylpropyl) 4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

220
Patents

390.1903 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.197576 196.5
[M+Na]+ 413.179518 201.9
[M-H]- 389.183024 196.7
[M+NH4]+ 408.224123 202.4
[M+K]+ 429.153458 198.8
[M+H-H2O]+ 373.187560 185.6
[M+HCOO]- 435.188501 205.9
[M+CH3COO]- 449.204151 218.8
[M+Na-2H]- 411.164966 199.0
[M]+ 390.18975142 198.4
[M]- 390.19084858 198.4
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