CID 6070159

Nsc631677

Structural Information

Molecular Formula
C23H37N4O3
SMILES
CC1=C(C=C(C=C1)NC(=O)CC/C(=N\NC(=O)C[N+](C)(C)C)/CC(=O)C(C)(C)C)C
InChI
InChI=1S/C23H36N4O3/c1-16-9-10-18(13-17(16)2)24-21(29)12-11-19(14-20(28)23(3,4)5)25-26-22(30)15-27(6,7)8/h9-10,13H,11-12,14-15H2,1-8H3,(H-,24,26,29,30)/p+1/b25-19+
InChIKey
MTUJGAHUSAUSDG-NCELDCMTSA-O
Compound name
[2-[(2E)-2-[1-(3,4-dimethylanilino)-7,7-dimethyl-1,6-dioxooctan-4-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.28656 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.29384 201.1
[M+Na]+ 440.27578 202.4
[M-H]- 416.27928 206.5
[M+NH4]+ 435.32038 211.7
[M+K]+ 456.24972 196.2
[M+H-H2O]+ 400.28382 195.8
[M+HCOO]- 462.28476 221.8
[M+CH3COO]- 476.30041 236.8
[M+Na-2H]- 438.26123 203.6
[M]+ 417.28601 203.1
[M]- 417.28711 203.1
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.