CID 3039375

Dl-12-dimethylphosphoromethyl-10,11-dihydro-5,10-imino-(5h)-dibenzo(a,d)cycloheptene

Structural Information

Molecular Formula
C18H20NOP
SMILES
CP(=O)(C)CN1C2CC3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C18H20NOP/c1-21(2,20)12-19-17-11-13-7-3-4-8-14(13)18(19)16-10-6-5-9-15(16)17/h3-10,17-18H,11-12H2,1-2H3
InChIKey
GHYROQFBFIHGTB-UHFFFAOYSA-N
Compound name
16-(dimethylphosphorylmethyl)-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.12827 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13555 173.6
[M+Na]+ 320.11749 181.5
[M-H]- 296.12099 175.6
[M+NH4]+ 315.16209 193.5
[M+K]+ 336.09143 176.0
[M+H-H2O]+ 280.12553 164.1
[M+HCOO]- 342.12647 194.1
[M+CH3COO]- 356.14212 207.7
[M+Na-2H]- 318.10294 176.1
[M]+ 297.12772 175.0
[M]- 297.12882 175.0
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

No patent data available for this compound.