CID 494265

Nsc348418

Structural Information

Molecular Formula
C14H21OPS
SMILES
COC1=CCC2=C(C1)CCC3C2CCP3(=S)C
InChI
InChI=1S/C14H21OPS/c1-15-11-4-5-12-10(9-11)3-6-14-13(12)7-8-16(14,2)17/h4,13-14H,3,5-9H2,1-2H3
InChIKey
TZNSSEOZBZLART-UHFFFAOYSA-N
Compound name
7-methoxy-3-methyl-3-sulfanylidene-1,2,3a,4,5,6,9,9b-octahydrobenzo[e]phosphindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10507 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11235 157.0
[M+Na]+ 291.09429 164.3
[M-H]- 267.09779 160.6
[M+NH4]+ 286.13889 180.8
[M+K]+ 307.06823 160.3
[M+H-H2O]+ 251.10233 149.8
[M+HCOO]- 313.10327 175.3
[M+CH3COO]- 327.11892 197.6
[M+Na-2H]- 289.07974 155.2
[M]+ 268.10452 157.0
[M]- 268.10562 157.0
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.