CID 108319

2-butanone, 3-methyl-, (4-(phenylsulfonyl)phenyl)hydrazone

Structural Information

Molecular Formula
C17H20N2O2S
SMILES
CC(C)C(=NNC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C17H20N2O2S/c1-13(2)14(3)18-19-15-9-11-17(12-10-15)22(20,21)16-7-5-4-6-8-16/h4-13,19H,1-3H3
InChIKey
YNWHKQATCFUTIK-UHFFFAOYSA-N
Compound name
4-(benzenesulfonyl)-N-(3-methylbutan-2-ylideneamino)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.12454 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13182 173.4
[M+Na]+ 339.11376 178.9
[M-H]- 315.11726 181.1
[M+NH4]+ 334.15836 188.0
[M+K]+ 355.08770 174.9
[M+H-H2O]+ 299.12180 165.1
[M+HCOO]- 361.12274 192.4
[M+CH3COO]- 375.13839 211.3
[M+Na-2H]- 337.09921 176.4
[M]+ 316.12399 175.4
[M]- 316.12509 175.4
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.