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]+ 390.213576 194.6
[M+Na]+ 412.195518 199.7
[M-H]- 388.199024 198.5
[M+NH4]+ 407.240123 202.7
[M+K]+ 428.169458 197.6
[M+H-H2O]+ 372.203560 183.3
[M+HCOO]- 434.204501 210.4
[M+CH3COO]- 448.220151 230.0
[M+Na-2H]- 410.180966 195.4
[M]+ 389.20575142 196.4
[M]- 389.20684858 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.