CID 55362

Gusperimus

Structural Information

Molecular Formula
C17H37N7O3
SMILES
C(CCCN=C(N)N)CCC(=O)NC(C(=O)NCCCCNCCCN)O
InChI
InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)
InChIKey
IDINUJSAMVOPCM-UHFFFAOYSA-N
Compound name
N-[2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)heptanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

628
References

20623
Patents

387.29578 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.30306 196.0
[M+Na]+ 410.28500 192.8
[M+NH4]+ 405.32960 224.6
[M+K]+ 426.25894 230.5
[M-H]- 386.28850 193.8
[M+Na-2H]- 408.27045 191.7
[M]+ 387.29523 193.4
[M]- 387.29633 193.4
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