CID 3038394

Imcarbofos

Structural Information

Molecular Formula
C17H30N4O7P2S2
SMILES
CCOP(=O)(NC(=S)NC1=CC(=C(C=C1)NC(=S)NP(=O)(OCC)OCC)OC)OCC
InChI
InChI=1S/C17H30N4O7P2S2/c1-6-25-29(22,26-7-2)20-16(31)18-13-10-11-14(15(12-13)24-5)19-17(32)21-30(23,27-8-3)28-9-4/h10-12H,6-9H2,1-5H3,(H2,18,20,22,31)(H2,19,21,23,32)
InChIKey
ZEFLNAWBWJVMFX-UHFFFAOYSA-N
Compound name
1-diethoxyphosphoryl-3-[4-(diethoxyphosphorylcarbamothioylamino)-2-methoxyphenyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

528.1031 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.11038 206.3
[M+Na]+ 551.09232 204.6
[M-H]- 527.09582 221.9
[M+NH4]+ 546.13692 224.3
[M+K]+ 567.06626 202.7
[M+H-H2O]+ 511.10036 191.5
[M+HCOO]- 573.10130 232.7
[M+CH3COO]- 587.11695 250.4
[M+Na-2H]- 549.07777 206.1
[M]+ 528.10255 213.8
[M]- 528.10365 213.8
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.