CID 3049509

Sld-174

Structural Information

Molecular Formula
C20H29N5O4
SMILES
CCOC(=O)N(C)CC1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C20H29N5O4/c1-5-29-20(26)24(2)12-13-6-8-25(9-7-13)19-22-15-11-17(28-4)16(27-3)10-14(15)18(21)23-19/h10-11,13H,5-9,12H2,1-4H3,(H2,21,22,23)
InChIKey
LGSZFBGFNADHLQ-UHFFFAOYSA-N
Compound name
ethyl N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.22195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.22923 198.9
[M+Na]+ 426.21117 203.5
[M-H]- 402.21467 202.6
[M+NH4]+ 421.25577 206.4
[M+K]+ 442.18511 201.3
[M+H-H2O]+ 386.21921 187.4
[M+HCOO]- 448.22015 214.3
[M+CH3COO]- 462.23580 232.9
[M+Na-2H]- 424.19662 199.2
[M]+ 403.22140 201.0
[M]- 403.22250 201.0
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.