CID 138491669

Zv5w411zuu

Structural Information

Molecular Formula
C20H21ClN4O3S
SMILES
CCCS(=O)(=O)NC1=C(C(=CC=C1)OC2=CC3=C(C=C2)N=CN4C3=NCCC4)Cl
InChI
InChI=1S/C20H21ClN4O3S/c1-2-11-29(26,27)24-17-5-3-6-18(19(17)21)28-14-7-8-16-15(12-14)20-22-9-4-10-25(20)13-23-16/h3,5-8,12-13,24H,2,4,9-11H2,1H3
InChIKey
OVGPDERCDBUWCJ-UHFFFAOYSA-N
Compound name
N-[2-chloro-3-(3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-10-yloxy)phenyl]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

432.1023 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.10958 197.7
[M+Na]+ 455.09152 206.0
[M-H]- 431.09502 201.4
[M+NH4]+ 450.13612 206.2
[M+K]+ 471.06546 198.9
[M+H-H2O]+ 415.09956 187.9
[M+HCOO]- 477.10050 203.4
[M+CH3COO]- 491.11615 205.4
[M+Na-2H]- 453.07697 203.6
[M]+ 432.10175 202.5
[M]- 432.10285 202.5
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