CID 17755582

N-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-{[(e)-(2-oxodihydrofuran-3(2h)-ylidene)methyl]amino}benzenesulfonamide

Structural Information

Molecular Formula
C17H19N5O4S
SMILES
CC1=CC(=NC(=N1)N)CNS(=O)(=O)C2=CC=CC(=C2)N/C=C/3\CCOC3=O
InChI
InChI=1S/C17H19N5O4S/c1-11-7-14(22-17(18)21-11)10-20-27(24,25)15-4-2-3-13(8-15)19-9-12-5-6-26-16(12)23/h2-4,7-9,19-20H,5-6,10H2,1H3,(H2,18,21,22)/b12-9+
InChIKey
VCOKUBHAJVTVNG-FMIVXFBMSA-N
Compound name
N-[(2-amino-6-methylpyrimidin-4-yl)methyl]-3-[[(E)-(2-oxooxolan-3-ylidene)methyl]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.11578 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.12306 189.8
[M+Na]+ 412.10500 196.5
[M-H]- 388.10850 197.6
[M+NH4]+ 407.14960 198.1
[M+K]+ 428.07894 191.6
[M+H-H2O]+ 372.11304 180.6
[M+HCOO]- 434.11398 206.3
[M+CH3COO]- 448.12963 221.9
[M+Na-2H]- 410.09045 192.0
[M]+ 389.11523 189.9
[M]- 389.11633 189.9
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

No patent data available for this compound.