CID 136002753

Dtxsid40904932

Structural Information

Molecular Formula
C18H19N5O4S
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=C(C=C3)S(=O)(=O)N(C)C)O
InChI
InChI=1S/C18H19N5O4S/c1-12-17(18(25)23(21-12)13-7-5-4-6-8-13)20-19-15-10-9-14(11-16(15)24)28(26,27)22(2)3/h4-11,21,24H,1-3H3
InChIKey
IRUVDRGLMKHHGU-UHFFFAOYSA-N
Compound name
3-hydroxy-N,N-dimethyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

401.11578 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.123056 193.1
[M+Na]+ 424.104998 201.9
[M-H]- 400.108504 203.3
[M+NH4]+ 419.149603 203.4
[M+K]+ 440.078938 197.4
[M+H-H2O]+ 384.113040 183.6
[M+HCOO]- 446.113981 213.8
[M+CH3COO]- 460.129631 228.6
[M+Na-2H]- 422.090446 195.7
[M]+ 401.11523142 198.3
[M]- 401.11632858 198.3
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.