CID 5384127

Methanesulfonic acid (1-methyl-2-phenyl-6-sulfo-4(1h)-quinolylidene) hydrazide

Structural Information

Molecular Formula
C17H17N3O5S2
SMILES
CN1C2=C(C=C(C=C2)S(=O)(=O)O)/C(=N\NS(=O)(=O)C)/C=C1C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O5S2/c1-20-16-9-8-13(27(23,24)25)10-14(16)15(18-19-26(2,21)22)11-17(20)12-6-4-3-5-7-12/h3-11,19H,1-2H3,(H,23,24,25)/b18-15-
InChIKey
NCTIDJBXOKKDPP-SDXDJHTJSA-N
Compound name
(4Z)-1-methyl-4-(methylsulfonylhydrazinylidene)-2-phenylquinoline-6-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.06097 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.06825 191.3
[M+Na]+ 430.05019 200.0
[M-H]- 406.05369 197.1
[M+NH4]+ 425.09479 201.3
[M+K]+ 446.02413 193.5
[M+H-H2O]+ 390.05823 183.2
[M+HCOO]- 452.05917 202.8
[M+CH3COO]- 466.07482 221.4
[M+Na-2H]- 428.03564 198.8
[M]+ 407.06042 195.9
[M]- 407.06152 195.9
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.