CID 3046332

Brn 0724595

Structural Information

Molecular Formula
C19H27Cl2N5O3S
SMILES
CCCN1C(=NC(=C1C(=O)N)NS(=O)(=O)C2=CC=C(C=C2)N(CCCl)CCCl)CC
InChI
InChI=1S/C19H27Cl2N5O3S/c1-3-11-26-16(4-2)23-19(17(26)18(22)27)24-30(28,29)15-7-5-14(6-8-15)25(12-9-20)13-10-21/h5-8,24H,3-4,9-13H2,1-2H3,(H2,22,27)
InChIKey
YBEACPWMEGHSPH-UHFFFAOYSA-N
Compound name
5-[[4-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]-2-ethyl-3-propylimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.12115 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.12843 211.4
[M+Na]+ 498.11037 217.7
[M-H]- 474.11387 216.3
[M+NH4]+ 493.15497 220.2
[M+K]+ 514.08431 211.5
[M+H-H2O]+ 458.11841 203.5
[M+HCOO]- 520.11935 218.9
[M+CH3COO]- 534.13500 240.4
[M+Na-2H]- 496.09582 208.5
[M]+ 475.12060 219.8
[M]- 475.12170 219.8
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.