CID 3046323

Brn 0843060

Structural Information

Molecular Formula
C15H24Cl2N4O3
SMILES
CCCCN1C(=NC(=C1C(=O)N(CCCl)CCCl)[N+](=O)[O-])CCC
InChI
InChI=1S/C15H24Cl2N4O3/c1-3-5-9-20-12(6-4-2)18-14(21(23)24)13(20)15(22)19(10-7-16)11-8-17/h3-11H2,1-2H3
InChIKey
NGIMUOGERFEIQM-UHFFFAOYSA-N
Compound name
3-butyl-N,N-bis(2-chloroethyl)-5-nitro-2-propylimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12256 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.12984 191.7
[M+Na]+ 401.11178 197.2
[M-H]- 377.11528 192.6
[M+NH4]+ 396.15638 203.8
[M+K]+ 417.08572 189.0
[M+H-H2O]+ 361.11982 188.8
[M+HCOO]- 423.12076 204.4
[M+CH3COO]- 437.13641 216.5
[M+Na-2H]- 399.09723 191.0
[M]+ 378.12201 198.1
[M]- 378.12311 198.1
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.