CID 3049501

Sld-150

Structural Information

Molecular Formula
C19H27N5O4
SMILES
CCOC(=O)NCC1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C19H27N5O4/c1-4-28-19(25)21-11-12-5-7-24(8-6-12)18-22-14-10-16(27-3)15(26-2)9-13(14)17(20)23-18/h9-10,12H,4-8,11H2,1-3H3,(H,21,25)(H2,20,22,23)
InChIKey
SLGOTOZEDCTYBV-UHFFFAOYSA-N
Compound name
ethyl N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]carbamate
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 194.5
[M+Na]+ 412.19552 199.5
[M-H]- 388.19902 197.0
[M+NH4]+ 407.24012 202.0
[M+K]+ 428.16946 196.1
[M+H-H2O]+ 372.20356 183.3
[M+HCOO]- 434.20450 209.8
[M+CH3COO]- 448.22015 226.9
[M+Na-2H]- 410.18097 196.0
[M]+ 389.20575 195.1
[M]- 389.20685 195.1
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.