CID 10309899

604769-01-9

Structural Information

Molecular Formula
C19H19N5O4S
SMILES
C1CN(CCN1C2=NC=C(C=N2)C(=O)NO)S(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)
InChIKey
MUTBJZVSRNUIHA-UHFFFAOYSA-N
Compound name
N-hydroxy-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

888
Patents

413.11578 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.12306 193.3
[M+Na]+ 436.10500 199.1
[M-H]- 412.10850 196.6
[M+NH4]+ 431.14960 197.7
[M+K]+ 452.07894 192.6
[M+H-H2O]+ 396.11304 182.6
[M+HCOO]- 458.11398 200.7
[M+CH3COO]- 472.12963 199.8
[M+Na-2H]- 434.09045 198.4
[M]+ 413.11523 191.2
[M]- 413.11633 191.2
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