CID 167784

N,n-dimethyl-3,5-dinitro-4-(dipropylamino)benzenesulfonamide

Structural Information

Molecular Formula
C14H22N4O6S
SMILES
CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C14H22N4O6S/c1-5-7-16(8-6-2)14-12(17(19)20)9-11(10-13(14)18(21)22)25(23,24)15(3)4/h9-10H,5-8H2,1-4H3
InChIKey
RXZXIHLAHYUIFU-UHFFFAOYSA-N
Compound name
4-(dipropylamino)-N,N-dimethyl-3,5-dinitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

374.126 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13328 182.6
[M+Na]+ 397.11522 221.0
[M-H]- 373.11872 215.3
[M+NH4]+ 392.15982 220.7
[M+K]+ 413.08916 176.2
[M+H-H2O]+ 357.12326 182.9
[M+HCOO]- 419.12420 225.9
[M+CH3COO]- 433.13985 214.8
[M+Na-2H]- 395.10067 188.3
[M]+ 374.12545 204.4
[M]- 374.12655 204.4
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