CID 218947

Brn 5163687

Structural Information

Molecular Formula
C14H17ClN4O5S
SMILES
CCCCN1C2=CC(=C(C=C2C(=O)N(C1=O)NC(=O)C)S(=O)(=O)N)Cl
InChI
InChI=1S/C14H17ClN4O5S/c1-3-4-5-18-11-7-10(15)12(25(16,23)24)6-9(11)13(21)19(14(18)22)17-8(2)20/h6-7H,3-5H2,1-2H3,(H,17,20)(H2,16,23,24)
InChIKey
OOJSMIPOUKVHPF-UHFFFAOYSA-N
Compound name
N-(1-butyl-7-chloro-2,4-dioxo-6-sulfamoylquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.06082 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.06810 183.9
[M+Na]+ 411.05004 194.7
[M-H]- 387.05354 186.4
[M+NH4]+ 406.09464 195.0
[M+K]+ 427.02398 189.1
[M+H-H2O]+ 371.05808 177.4
[M+HCOO]- 433.05902 194.6
[M+CH3COO]- 447.07467 221.3
[M+Na-2H]- 409.03549 186.1
[M]+ 388.06027 191.7
[M]- 388.06137 191.7
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.