CID 162532892

Eras-801

Structural Information

Molecular Formula
C22H23BrFN5O2
SMILES
CN1CCN(CC1)C[C@H]2COC3=C(O2)C=C4C(=C3)N=CN=C4NC5=C(C(=CC=C5)Br)F
InChI
InChI=1S/C22H23BrFN5O2/c1-28-5-7-29(8-6-28)11-14-12-30-19-10-18-15(9-20(19)31-14)22(26-13-25-18)27-17-4-2-3-16(23)21(17)24/h2-4,9-10,13-14H,5-8,11-12H2,1H3,(H,25,26,27)/t14-/m0/s1
InChIKey
PHQOQKGDQRKQNK-AWEZNQCLSA-N
Compound name
(7S)-N-(3-bromo-2-fluorophenyl)-7-[(4-methylpiperazin-1-yl)methyl]-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

487.10193 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.10921 215.3
[M+Na]+ 510.09115 220.3
[M+NH4]+ 505.13575 218.0
[M+K]+ 526.06509 218.0
[M-H]- 486.09465 220.0
[M+Na-2H]- 508.07660 216.0
[M]+ 487.10138 216.2
[M]- 487.10248 216.2
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

patents stripe