CID 3076910

4-quinazolinamine, 6,7-dimethoxy-2-(4-(3-methoxyphenyl)-1-piperazinyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H25N5O3
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC
InChI
InChI=1S/C21H25N5O3/c1-27-15-6-4-5-14(11-15)25-7-9-26(10-8-25)21-23-17-13-19(29-3)18(28-2)12-16(17)20(22)24-21/h4-6,11-13H,7-10H2,1-3H3,(H2,22,23,24)
InChIKey
QETAITGBTIPKLO-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-[4-(3-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.19574 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.20302 200.0
[M+Na]+ 418.18496 207.0
[M-H]- 394.18846 204.4
[M+NH4]+ 413.22956 205.7
[M+K]+ 434.15890 201.2
[M+H-H2O]+ 378.19300 186.6
[M+HCOO]- 440.19394 213.6
[M+CH3COO]- 454.20959 207.2
[M+Na-2H]- 416.17041 202.0
[M]+ 395.19519 199.8
[M]- 395.19629 199.8
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.