CID 3086680

Tresperimus

Structural Information

Molecular Formula
C17H37N7O3
SMILES
C(CCCN=C(N)N)CCNC(=O)COC(=O)NCCCCNCCCN
InChI
InChI=1S/C17H37N7O3/c18-8-7-10-21-9-5-6-13-24-17(26)27-14-15(25)22-11-3-1-2-4-12-23-16(19)20/h21H,1-14,18H2,(H,22,25)(H,24,26)(H4,19,20,23)
InChIKey
LVBMFPUTQOHXQE-UHFFFAOYSA-N
Compound name
[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl] N-[4-(3-aminopropylamino)butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

1296
Patents

387.29578 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.30306 195.9
[M+Na]+ 410.28500 193.5
[M+NH4]+ 405.32960 226.0
[M+K]+ 426.25894 191.3
[M-H]- 386.28850 194.4
[M+Na-2H]- 408.27045 192.5
[M]+ 387.29523 193.6
[M]- 387.29633 193.6
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