CID 129695

Naspm

Structural Information

Molecular Formula
C22H34N4O
SMILES
C1=CC=C2C(=C1)C=CC=C2CC(=O)NCCCNCCCCNCCCN
InChI
InChI=1S/C22H34N4O/c23-12-6-15-24-13-3-4-14-25-16-7-17-26-22(27)18-20-10-5-9-19-8-1-2-11-21(19)20/h1-2,5,8-11,24-25H,3-4,6-7,12-18,23H2,(H,26,27)
InChIKey
ZUINPPQIQARTKX-UHFFFAOYSA-N
Compound name
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-naphthalen-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

75
References

95
Patents

370.27325 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.28053 189.6
[M+Na]+ 393.26247 190.1
[M-H]- 369.26597 191.3
[M+NH4]+ 388.30707 201.0
[M+K]+ 409.23641 184.8
[M+H-H2O]+ 353.27051 180.0
[M+HCOO]- 415.27145 212.4
[M+CH3COO]- 429.28710 230.0
[M+Na-2H]- 391.24792 193.2
[M]+ 370.27270 189.3
[M]- 370.27380 189.3
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

patents stripe