CID 20056453

Schembl707005

Structural Information

Molecular Formula
C19H27N5O4
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)CNCCCNC(=O)C3CCCO3)N)OC
InChI
InChI=1S/C19H27N5O4/c1-26-15-9-12-13(10-16(15)27-2)23-17(24-18(12)20)11-21-6-4-7-22-19(25)14-5-3-8-28-14/h9-10,14,21H,3-8,11H2,1-2H3,(H,22,25)(H2,20,23,24)
InChIKey
CDSPATBVJBOXOK-UHFFFAOYSA-N
Compound name
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)methylamino]propyl]oxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

389.2063 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.213576 191.7
[M+Na]+ 412.195518 195.7
[M-H]- 388.199024 196.4
[M+NH4]+ 407.240123 200.6
[M+K]+ 428.169458 193.5
[M+H-H2O]+ 372.203560 181.4
[M+HCOO]- 434.204501 210.8
[M+CH3COO]- 448.220151 228.3
[M+Na-2H]- 410.180966 193.5
[M]+ 389.20575142 193.6
[M]- 389.20684858 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe