CID 368321

Nsc639017

Structural Information

Molecular Formula
C22H30N4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCCN)CNCCCN
InChI
InChI=1S/C22H30N4/c23-11-5-13-25-15-21-17-7-1-2-8-18(17)22(16-26-14-6-12-24)20-10-4-3-9-19(20)21/h1-4,7-10,25-26H,5-6,11-16,23-24H2
InChIKey
BQJUCQQJZVUAIK-UHFFFAOYSA-N
Compound name
N'-[[10-[(3-aminopropylamino)methyl]anthracen-9-yl]methyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.24704 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.25432 181.5
[M+Na]+ 373.23626 186.4
[M-H]- 349.23976 185.0
[M+NH4]+ 368.28086 195.2
[M+K]+ 389.21020 179.5
[M+H-H2O]+ 333.24430 172.5
[M+HCOO]- 395.24524 205.4
[M+CH3COO]- 409.26089 227.7
[M+Na-2H]- 371.22171 188.2
[M]+ 350.24649 181.4
[M]- 350.24759 181.4
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.