CID 11438749

443965-10-4

Structural Information

Molecular Formula
C19H20NO2P
SMILES
CN(C)P1OC2=CC=CC3=C2C4(CC3)CCC5=C4C(=CC=C5)O1
InChI
InChI=1S/C19H20NO2P/c1-20(2)23-21-15-7-3-5-13-9-11-19(17(13)15)12-10-14-6-4-8-16(22-23)18(14)19/h3-8H,9-12H2,1-2H3
InChIKey
RIDZEECIONITMW-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-12-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

325.12317 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13045 192.2
[M+Na]+ 348.11239 196.4
[M-H]- 324.11589 195.4
[M+NH4]+ 343.15699 201.4
[M+K]+ 364.08633 196.1
[M+H-H2O]+ 308.12043 186.4
[M+HCOO]- 370.12137 200.8
[M+CH3COO]- 384.13702 195.1
[M+Na-2H]- 346.09784 187.8
[M]+ 325.12262 193.0
[M]- 325.12372 193.0
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