CID 3048377

63905-03-3

Structural Information

Molecular Formula
C15H22Cl2N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCOC(C2)N(CCCl)CCCl
InChI
InChI=1S/C15H22Cl2N2O3S/c1-13-2-4-14(5-3-13)23(20,21)19-10-11-22-15(12-19)18(8-6-16)9-7-17/h2-5,15H,6-12H2,1H3
InChIKey
DJPYUBOZKZSLFO-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-(4-methylphenyl)sulfonylmorpholin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0728 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.08008 183.6
[M+Na]+ 403.06202 189.4
[M-H]- 379.06552 189.7
[M+NH4]+ 398.10662 194.9
[M+K]+ 419.03596 185.5
[M+H-H2O]+ 363.07006 176.7
[M+HCOO]- 425.07100 187.5
[M+CH3COO]- 439.08665 215.8
[M+Na-2H]- 401.04747 184.5
[M]+ 380.07225 188.8
[M]- 380.07335 188.8
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.