CID 490704

Schembl13097536

Structural Information

Molecular Formula
C21H48N6O
SMILES
CCNCCCCNCCCCNCCCCNCCCCNC(=O)CCN
InChI
InChI=1S/C21H48N6O/c1-2-23-13-3-4-14-24-15-5-6-16-25-17-7-8-18-26-19-9-10-20-27-21(28)11-12-22/h23-26H,2-20,22H2,1H3,(H,27,28)
InChIKey
UMWGKJCVMRARKY-UHFFFAOYSA-N
Compound name
3-amino-N-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

400.38895 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.39623 198.5
[M+Na]+ 423.37817 194.4
[M-H]- 399.38167 195.3
[M+NH4]+ 418.42277 207.3
[M+K]+ 439.35211 191.4
[M+H-H2O]+ 383.38621 188.1
[M+HCOO]- 445.38715 222.2
[M+CH3COO]- 459.40280 243.4
[M+Na-2H]- 421.36362 198.2
[M]+ 400.38840 199.5
[M]- 400.38950 199.5
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