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]+ 422.21868 203.4
[M+Na]+ 444.20062 207.8
[M-H]- 420.20412 210.0
[M+NH4]+ 439.24522 209.3
[M+K]+ 460.17456 203.6
[M+H-H2O]+ 404.20866 190.3
[M+HCOO]- 466.20960 218.6
[M+CH3COO]- 480.22525 236.2
[M+Na-2H]- 442.18607 204.5
[M]+ 421.21085 202.3
[M]- 421.21195 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.