CID 3046331

Brn 0857227

Structural Information

Molecular Formula
C16H21Cl2N5O3S
SMILES
CC1=NC(=C(N1C)C(=O)N)NS(=O)(=O)C2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C16H21Cl2N5O3S/c1-11-20-16(14(15(19)24)22(11)2)21-27(25,26)13-5-3-12(4-6-13)23(9-7-17)10-8-18/h3-6,21H,7-10H2,1-2H3,(H2,19,24)
InChIKey
VTTMVUHUEJSMDK-UHFFFAOYSA-N
Compound name
5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-2,3-dimethylimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.07422 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.08150 199.2
[M+Na]+ 456.06344 208.2
[M+NH4]+ 451.10804 203.6
[M+K]+ 472.03738 203.2
[M-H]- 432.06694 200.5
[M+Na-2H]- 454.04889 202.8
[M]+ 433.07367 201.4
[M]- 433.07477 201.4
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.