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
2
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]+ 317.131816 173.4
[M+Na]+ 339.113758 178.9
[M-H]- 315.117264 181.1
[M+NH4]+ 334.158363 188.0
[M+K]+ 355.087698 174.9
[M+H-H2O]+ 299.121800 165.1
[M+HCOO]- 361.122741 192.4
[M+CH3COO]- 375.138391 211.3
[M+Na-2H]- 337.099206 176.4
[M]+ 316.12399142 175.4
[M]- 316.12508858 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.