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]+ 363.181576 190.7
[M+Na]+ 385.163518 196.9
[M-H]- 361.167024 194.8
[M+NH4]+ 380.208123 197.6
[M+K]+ 401.137458 190.5
[M+H-H2O]+ 345.171560 177.3
[M+HCOO]- 407.172501 202.9
[M+CH3COO]- 421.188151 198.2
[M+Na-2H]- 383.148966 193.2
[M]+ 362.17375142 188.4
[M]- 362.17484858 188.4
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.