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]+ 376.19792 190.3
[M+Na]+ 398.17986 195.7
[M-H]- 374.18336 192.9
[M+NH4]+ 393.22446 198.3
[M+K]+ 414.15380 192.5
[M+H-H2O]+ 358.18790 179.2
[M+HCOO]- 420.18884 205.9
[M+CH3COO]- 434.20449 224.0
[M+Na-2H]- 396.16531 192.2
[M]+ 375.19009 190.5
[M]- 375.19119 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.