CID 5468235

Nsc666404

Structural Information

Molecular Formula
C22H37N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C\2/CCCCCCCCCCC2CN(C)C
InChI
InChI=1S/C22H37N3O2S/c1-19-14-16-21(17-15-19)28(26,27)24-23-22-13-11-9-7-5-4-6-8-10-12-20(22)18-25(2)3/h14-17,20,24H,4-13,18H2,1-3H3/b23-22-
InChIKey
NVUSBBZSCHERAZ-FCQUAONHSA-N
Compound name
N-[(Z)-[2-[(dimethylamino)methyl]cyclododecylidene]amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.26065 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.26793 194.9
[M+Na]+ 430.24987 195.0
[M-H]- 406.25337 199.8
[M+NH4]+ 425.29447 203.3
[M+K]+ 446.22381 192.5
[M+H-H2O]+ 390.25791 189.2
[M+HCOO]- 452.25885 208.9
[M+CH3COO]- 466.27450 227.3
[M+Na-2H]- 428.23532 193.6
[M]+ 407.26010 188.5
[M]- 407.26120 188.5
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.