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]+ 396.203016 200.0
[M+Na]+ 418.184958 207.0
[M-H]- 394.188464 204.4
[M+NH4]+ 413.229563 205.7
[M+K]+ 434.158898 201.2
[M+H-H2O]+ 378.193000 186.6
[M+HCOO]- 440.193941 213.6
[M+CH3COO]- 454.209591 207.2
[M+Na-2H]- 416.170406 202.0
[M]+ 395.19519142 199.8
[M]- 395.19628858 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.