CID 3075871

Brn 3629637

Structural Information

Molecular Formula
C20H21ClN4O
SMILES
CC1=C(C=CC(=C1)OC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C)Cl
InChI
InChI=1S/C20H21ClN4O/c1-14-13-15(7-8-17(14)21)26-19-16-5-3-4-6-18(16)22-20(23-19)25-11-9-24(2)10-12-25/h3-8,13H,9-12H2,1-2H3
InChIKey
KWGCJLDOGOYJOP-UHFFFAOYSA-N
Compound name
4-(4-chloro-3-methylphenoxy)-2-(4-methylpiperazin-1-yl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14038 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14766 191.0
[M+Na]+ 391.12960 199.5
[M-H]- 367.13310 195.1
[M+NH4]+ 386.17420 199.1
[M+K]+ 407.10354 191.5
[M+H-H2O]+ 351.13764 177.8
[M+HCOO]- 413.13858 199.5
[M+CH3COO]- 427.15423 199.0
[M+Na-2H]- 389.11505 193.6
[M]+ 368.13983 190.9
[M]- 368.14093 190.9
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.