CID 11774935

Cpg 52364

Structural Information

Molecular Formula
C24H32N6O2
SMILES
CN(C)CCNC1=NC(=NC2=CC(=C(C=C21)OC)OC)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H32N6O2/c1-28(2)11-10-25-23-19-16-21(31-3)22(32-4)17-20(19)26-24(27-23)30-14-12-29(13-15-30)18-8-6-5-7-9-18/h5-9,16-17H,10-15H2,1-4H3,(H,25,26,27)
InChIKey
NRDOWTUUBQCUMC-UHFFFAOYSA-N
Compound name
N-[6,7-dimethoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

436.25867 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.26595 210.0
[M+Na]+ 459.24789 214.1
[M-H]- 435.25139 215.3
[M+NH4]+ 454.29249 214.3
[M+K]+ 475.22183 208.7
[M+H-H2O]+ 419.25593 195.6
[M+HCOO]- 481.25687 224.6
[M+CH3COO]- 495.27252 216.1
[M+Na-2H]- 457.23334 212.5
[M]+ 436.25812 210.5
[M]- 436.25922 210.5
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

patents stripe