CID 6918488

Imisopasem manganese

Structural Information

Molecular Formula
C21H35N5
SMILES
C1CC[C@@H]2[C@@H](C1)NCCN[C@@H]3CCCC[C@H]3NCC4=CC=CC(=N4)CN2
InChI
InChI=1S/C21H35N5/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20/h5-7,18-25H,1-4,8-15H2/t18-,19-,20-,21-/m1/s1
InChIKey
MTQZSJFDXWEENV-XRXFAXGQSA-N
Compound name
(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

66
References

407
Patents

357.28925 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.29653 189.5
[M+Na]+ 380.27847 197.9
[M+NH4]+ 375.32307 195.2
[M+K]+ 396.25241 190.4
[M-H]- 356.28197 189.4
[M+Na-2H]- 378.26392 189.1
[M]+ 357.28870 189.9
[M]- 357.28980 189.9
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

patents stripe