CID 394503

Nsc698048

Structural Information

Molecular Formula
C23H25N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)OC)OC
InChI
InChI=1S/C23H25N3O5/c1-7-10-26(16-12-19(27-2)21(29-4)20(13-16)28-3)14-15-8-9-17-18(11-15)25-23(31-6)22(24-17)30-5/h1,8-9,11-13H,10,14H2,2-6H3
InChIKey
AUBHNBXSNJMTMM-UHFFFAOYSA-N
Compound name
N-[(2,3-dimethoxyquinoxalin-6-yl)methyl]-3,4,5-trimethoxy-N-prop-2-ynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1794 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18668 198.7
[M+Na]+ 446.16862 208.3
[M-H]- 422.17212 201.6
[M+NH4]+ 441.21322 205.8
[M+K]+ 462.14256 203.5
[M+H-H2O]+ 406.17666 181.3
[M+HCOO]- 468.17760 213.0
[M+CH3COO]- 482.19325 238.1
[M+Na-2H]- 444.15407 199.4
[M]+ 423.17885 202.2
[M]- 423.17995 202.2
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.