CID 881919

C.i. direct black 15

Structural Information

Molecular Formula
C13H18N2O2S
SMILES
C1CCCC(=NNS(=O)(=O)C2=CC=CC=C2)CC1
InChI
InChI=1S/C13H18N2O2S/c16-18(17,13-10-6-3-7-11-13)15-14-12-8-4-1-2-5-9-12/h3,6-7,10-11,15H,1-2,4-5,8-9H2
InChIKey
PRPVSAZLTZROPD-UHFFFAOYSA-N
Compound name
N-(cycloheptylideneamino)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

18
Patents

266.1089 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.116176 160.7
[M+Na]+ 289.098118 162.4
[M-H]- 265.101624 168.2
[M+NH4]+ 284.142723 175.6
[M+K]+ 305.072058 164.3
[M+H-H2O]+ 249.106160 153.5
[M+HCOO]- 311.107101 177.9
[M+CH3COO]- 325.122751 198.4
[M+Na-2H]- 287.083566 164.4
[M]+ 266.10835142 154.6
[M]- 266.10944858 154.6
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