CID 3049505

Sld-093

Structural Information

Molecular Formula
C19H27N5O4
SMILES
CCOC(=O)N(C)C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C19H27N5O4/c1-5-28-19(25)23(2)12-6-8-24(9-7-12)18-21-14-11-16(27-4)15(26-3)10-13(14)17(20)22-18/h10-12H,5-9H2,1-4H3,(H2,20,21,22)
InChIKey
WOGGUPDXQPCHRA-UHFFFAOYSA-N
Compound name
ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.2063 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21358 194.6
[M+Na]+ 412.19552 199.7
[M-H]- 388.19902 198.5
[M+NH4]+ 407.24012 202.7
[M+K]+ 428.16946 197.6
[M+H-H2O]+ 372.20356 183.3
[M+HCOO]- 434.20450 210.4
[M+CH3COO]- 448.22015 230.0
[M+Na-2H]- 410.18097 195.4
[M]+ 389.20575 196.4
[M]- 389.20685 196.4
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.