CID 45381907

Selurampanel

Structural Information

Molecular Formula
C16H19N5O4S
SMILES
CC(C)C1=C(C=C2C(=C1)NC(=O)N(C2=O)NS(=O)(=O)C)C3=CC=NN3C
InChI
InChI=1S/C16H19N5O4S/c1-9(2)10-8-13-12(7-11(10)14-5-6-17-20(14)3)15(22)21(16(23)18-13)19-26(4,24)25/h5-9,19H,1-4H3,(H,18,23)
InChIKey
MCECSFFXUPEPDB-UHFFFAOYSA-N
Compound name
N-[6-(2-methylpyrazol-3-yl)-2,4-dioxo-7-propan-2-yl-1H-quinazolin-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

593
Patents

377.11578 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12306 188.6
[M+Na]+ 400.10500 201.0
[M-H]- 376.10850 192.1
[M+NH4]+ 395.14960 198.3
[M+K]+ 416.07894 194.7
[M+H-H2O]+ 360.11304 180.9
[M+HCOO]- 422.11398 202.1
[M+CH3COO]- 436.12963 216.9
[M+Na-2H]- 398.09045 190.4
[M]+ 377.11523 195.1
[M]- 377.11633 195.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe