CID 3056629

Gamma,gamma'-nitrilodimethylenebis(n,n-dimethyl-gamma-isopropyl-2-naphthalenepropylamine)

Structural Information

Molecular Formula
C38H51N3
SMILES
CCCC(CCN(C)C)(C=NCC(CCN(C)C)(C1=CC2=CC=CC=C2C=C1)C(C)C)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C38H51N3/c1-8-21-37(22-24-40(4)5,35-19-17-31-13-9-11-15-33(31)26-35)28-39-29-38(30(2)3,23-25-41(6)7)36-20-18-32-14-10-12-16-34(32)27-36/h9-20,26-28,30H,8,21-25,29H2,1-7H3
InChIKey
BUWOUGNFQQYJOO-UHFFFAOYSA-N
Compound name
3-[[2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylbutyl]iminomethyl]-N,N-dimethyl-3-naphthalen-2-ylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.4083 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.41558 248.0
[M+Na]+ 572.39752 247.6
[M-H]- 548.40102 256.8
[M+NH4]+ 567.44212 254.8
[M+K]+ 588.37146 242.3
[M+H-H2O]+ 532.40556 235.1
[M+HCOO]- 594.40650 265.4
[M+CH3COO]- 608.42215 273.1
[M+Na-2H]- 570.38297 249.7
[M]+ 549.40775 253.7
[M]- 549.40885 253.7
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.