CID 3049514

Sld-211

Structural Information

Molecular Formula
C18H25N5O4
SMILES
CCOC(=O)NC1CCCN(C1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C18H25N5O4/c1-4-27-18(24)20-11-6-5-7-23(10-11)17-21-13-9-15(26-3)14(25-2)8-12(13)16(19)22-17/h8-9,11H,4-7,10H2,1-3H3,(H,20,24)(H2,19,21,22)
InChIKey
OIXYLLTUBGWUAK-UHFFFAOYSA-N
Compound name
ethyl N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.19064 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.197916 190.3
[M+Na]+ 398.179858 195.7
[M-H]- 374.183364 192.9
[M+NH4]+ 393.224463 198.3
[M+K]+ 414.153798 192.5
[M+H-H2O]+ 358.187900 179.2
[M+HCOO]- 420.188841 205.9
[M+CH3COO]- 434.204491 224.0
[M+Na-2H]- 396.165306 192.2
[M]+ 375.19009142 190.5
[M]- 375.19118858 190.5
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.