CID 6477470

Nsc669583

Structural Information

Molecular Formula
C16H18NO6P
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)/C=C(/C(=O)OC)\P(=O)(OC)OC
InChI
InChI=1S/C16H18NO6P/c1-11(18)17-10-12(13-7-5-6-8-14(13)17)9-15(16(19)21-2)24(20,22-3)23-4/h5-10H,1-4H3/b15-9-
InChIKey
NJLUWSFNNODHOF-DHDCSXOGSA-N
Compound name
methyl (Z)-3-(1-acetylindol-3-yl)-2-dimethoxyphosphorylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0872 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09448 178.6
[M+Na]+ 374.07642 186.1
[M-H]- 350.07992 181.2
[M+NH4]+ 369.12102 193.5
[M+K]+ 390.05036 185.3
[M+H-H2O]+ 334.08446 169.7
[M+HCOO]- 396.08540 203.9
[M+CH3COO]- 410.10105 211.2
[M+Na-2H]- 372.06187 178.0
[M]+ 351.08665 187.4
[M]- 351.08775 187.4
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.