CID 3049500

Sld-066

Structural Information

Molecular Formula
C23H27N5O3
SMILES
CN(C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H27N5O3/c1-27(22(29)15-7-5-4-6-8-15)16-9-11-28(12-10-16)23-25-18-14-20(31-3)19(30-2)13-17(18)21(24)26-23/h4-8,13-14,16H,9-12H2,1-3H3,(H2,24,25,26)
InChIKey
JNBNRSRAQGDFHF-UHFFFAOYSA-N
Compound name
N-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2114 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.218676 203.4
[M+Na]+ 444.200618 207.8
[M-H]- 420.204124 210.0
[M+NH4]+ 439.245223 209.3
[M+K]+ 460.174558 203.6
[M+H-H2O]+ 404.208660 190.3
[M+HCOO]- 466.209601 218.6
[M+CH3COO]- 480.225251 236.2
[M+Na-2H]- 442.186066 204.5
[M]+ 421.21085142 202.3
[M]- 421.21194858 202.3
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.