CID 37264

Trimazosin

Structural Information

Molecular Formula
C20H29N5O6
SMILES
CC(C)(COC(=O)N1CCN(CC1)C2=NC3=C(C(=C(C=C3C(=N2)N)OC)OC)OC)O
InChI
InChI=1S/C20H29N5O6/c1-20(2,27)11-31-19(26)25-8-6-24(7-9-25)18-22-14-12(17(21)23-18)10-13(28-3)15(29-4)16(14)30-5/h10,27H,6-9,11H2,1-5H3,(H2,21,22,23)
InChIKey
YNZXWQJZEDLQEG-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-methylpropyl) 4-(4-amino-6,7,8-trimethoxyquinazolin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

73
References

5794
Patents

435.2118 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.21908 204.3
[M+Na]+ 458.20102 213.6
[M+NH4]+ 453.24562 206.4
[M+K]+ 474.17496 211.2
[M-H]- 434.20452 203.4
[M+Na-2H]- 456.18647 205.5
[M]+ 435.21125 204.9
[M]- 435.21235 204.9
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