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
4
Annotation Hits

73
References

5949
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 207.8
[M+Na]+ 458.20102 213.2
[M-H]- 434.20452 208.1
[M+NH4]+ 453.24562 211.7
[M+K]+ 474.17496 210.8
[M+H-H2O]+ 418.20906 197.0
[M+HCOO]- 480.21000 217.3
[M+CH3COO]- 494.22565 231.7
[M+Na-2H]- 456.18647 208.5
[M]+ 435.21125 210.7
[M]- 435.21235 210.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.