CID 385497

Nsc676746

Structural Information

Molecular Formula
C19H26FN2O3P
SMILES
CCOP(=O)(C(C1=CC=C(C=C1)N(C)C)NC2=CC(=CC=C2)F)OCC
InChI
InChI=1S/C19H26FN2O3P/c1-5-24-26(23,25-6-2)19(21-17-9-7-8-16(20)14-17)15-10-12-18(13-11-15)22(3)4/h7-14,19,21H,5-6H2,1-4H3
InChIKey
MXXDGBTZXDJCPB-UHFFFAOYSA-N
Compound name
N-[diethoxyphosphoryl-[4-(dimethylamino)phenyl]methyl]-3-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1665 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17378 192.5
[M+Na]+ 403.15572 196.4
[M-H]- 379.15922 197.4
[M+NH4]+ 398.20032 204.5
[M+K]+ 419.12966 194.7
[M+H-H2O]+ 363.16376 180.0
[M+HCOO]- 425.16470 219.7
[M+CH3COO]- 439.18035 228.9
[M+Na-2H]- 401.14117 191.6
[M]+ 380.16595 196.2
[M]- 380.16705 196.2
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.