CID 3075870

129112-42-1

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CC(=O)C1=CC=C(C=C1)OC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C
InChI
InChI=1S/C21H22N4O2/c1-15(26)16-7-9-17(10-8-16)27-20-18-5-3-4-6-19(18)22-21(23-20)25-13-11-24(2)12-14-25/h3-10H,11-14H2,1-2H3
InChIKey
BTNKYUBXQPGOCR-UHFFFAOYSA-N
Compound name
1-[4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]oxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1743 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 189.0
[M+Na]+ 385.16352 204.9
[M+NH4]+ 380.20812 195.8
[M+K]+ 401.13746 196.7
[M-H]- 361.16702 193.8
[M+Na-2H]- 383.14897 197.5
[M]+ 362.17375 192.7
[M]- 362.17485 192.7
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.