CID 5466758

Nsc642614

Structural Information

Molecular Formula
C15H21Cl2N4O2
SMILES
C/C(=N\NC(=O)C[N+](C)(C)C)/CC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C15H20Cl2N4O2/c1-10(19-20-15(23)9-21(2,3)4)7-14(22)18-11-5-6-12(16)13(17)8-11/h5-6,8H,7,9H2,1-4H3,(H-,18,20,22,23)/p+1/b19-10+
InChIKey
JRDQNDZOLXGERY-VXLYETTFSA-O
Compound name
[2-[(2E)-2-[4-(3,4-dichloroanilino)-4-oxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.10416 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11144 182.2
[M+Na]+ 382.09338 187.4
[M-H]- 358.09688 187.6
[M+NH4]+ 377.13798 196.4
[M+K]+ 398.06732 178.2
[M+H-H2O]+ 342.10142 179.2
[M+HCOO]- 404.10236 198.2
[M+CH3COO]- 418.11801 219.2
[M+Na-2H]- 380.07883 186.2
[M]+ 359.10361 185.5
[M]- 359.10471 185.5
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.