CID 45039442

102932-26-3

Structural Information

Molecular Formula
C22H23N5O5
SMILES
COC1=C(C=C2C(=C1)N=C(N=C2N)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)O
InChI
InChI=1S/C22H23N5O5/c1-30-18-11-14-13(10-15(18)28)20(23)25-22(24-14)27-8-6-26(7-9-27)21(29)19-12-31-16-4-2-3-5-17(16)32-19/h2-5,10-11,19,28H,6-9,12H2,1H3,(H2,23,24,25)
InChIKey
DSVHRYIETHRCFI-UHFFFAOYSA-N
Compound name
[4-(4-amino-6-hydroxy-7-methoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.16992 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.17720 207.8
[M+Na]+ 460.15914 213.2
[M-H]- 436.16264 212.6
[M+NH4]+ 455.20374 208.7
[M+K]+ 476.13308 209.8
[M+H-H2O]+ 420.16718 194.1
[M+HCOO]- 482.16812 214.0
[M+CH3COO]- 496.18377 213.2
[M+Na-2H]- 458.14459 209.4
[M]+ 437.16937 204.9
[M]- 437.17047 204.9
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.