CID 9041

Win 8078

Structural Information

Molecular Formula
C30H48N4O4
SMILES
CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1OC)CC2=CC=CC=C2OC
InChI
InChI=1S/C30H46N4O4/c1-7-33(8-2,23-25-15-11-13-17-27(25)37-5)21-19-31-29(35)30(36)32-20-22-34(9-3,10-4)24-26-16-12-14-18-28(26)38-6/h11-18H,7-10,19-24H2,1-6H3/p+2
InChIKey
JTHLPXAUEYCJPV-UHFFFAOYSA-P
Compound name
2-[[2-[2-[diethyl-[(2-methoxyphenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-methoxyphenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

528.36755 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.37483 251.2
[M+Na]+ 551.35677 255.7
[M+NH4]+ 546.40137 257.7
[M+K]+ 567.33071 259.1
[M-H]- 527.36027 246.0
[M+Na-2H]- 549.34222 238.1
[M]+ 528.36700 251.8
[M]- 528.36810 251.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.