CID 65800

Fotretamine

Structural Information

Molecular Formula
C14H28N9OP3
SMILES
C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CCOCC4)(N5CC5)N6CC6)N7CC7
InChI
InChI=1S/C14H28N9OP3/c1-2-18(1)25(19-3-4-19)15-26(20-5-6-20,21-7-8-21)17-27(16-25,22-9-10-22)23-11-13-24-14-12-23/h1-14H2
InChIKey
SCGZIPCHOAVGCL-UHFFFAOYSA-N
Compound name
4-[2,4,4,6,6-pentakis(aziridin-1-yl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

82
Patents

431.16296 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17024 118.3
[M+Na]+ 454.15218 123.8
[M+NH4]+ 449.19678 121.9
[M+K]+ 470.12612 126.5
[M-H]- 430.15568 127.7
[M+Na-2H]- 452.13763 127.8
[M]+ 431.16241 123.1
[M]- 431.16351 123.1
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