CID 99081

33318-54-6

Structural Information

Molecular Formula
C38H51N3
SMILES
CCCC(CCN(C)C)(CN=CC(CCC)(CCN(C)C)C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C38H51N3/c1-7-23-37(25-27-40(3)4,35-21-13-17-31-15-9-11-19-33(31)35)29-39-30-38(24-8-2,26-28-41(5)6)36-22-14-18-32-16-10-12-20-34(32)36/h9-22,29H,7-8,23-28,30H2,1-6H3
InChIKey
PXGXBGMFHZROFF-UHFFFAOYSA-N
Compound name
3-[[[2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentylidene]amino]methyl]-N,N-dimethyl-3-naphthalen-1-ylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.4083 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.41558 248.6
[M+Na]+ 572.39752 248.6
[M-H]- 548.40102 257.4
[M+NH4]+ 567.44212 255.5
[M+K]+ 588.37146 242.5
[M+H-H2O]+ 532.40556 235.4
[M+HCOO]- 594.40650 267.0
[M+CH3COO]- 608.42215 272.3
[M+Na-2H]- 570.38297 251.3
[M]+ 549.40775 254.9
[M]- 549.40885 254.9
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.