CID 374297

Nsc651816

Structural Information

Molecular Formula
C12H20Cl2NO6P
SMILES
CC1(OC2C3C(COP(=O)(O3)N(CCCl)CCCl)OC2O1)C
InChI
InChI=1S/C12H20Cl2NO6P/c1-12(2)19-10-9-8(18-11(10)20-12)7-17-22(16,21-9)15(5-3-13)6-4-14/h8-11H,3-7H2,1-2H3
InChIKey
YSYRTTLOJUVIIT-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4,4-dimethyl-11-oxo-3,5,7,10,12-pentaoxa-11lambda5-phosphatricyclo[6.4.0.02,6]dodecan-11-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.04053 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.04781 182.1
[M+Na]+ 398.02975 189.8
[M-H]- 374.03325 189.2
[M+NH4]+ 393.07435 198.8
[M+K]+ 414.00369 191.7
[M+H-H2O]+ 358.03779 179.2
[M+HCOO]- 420.03873 192.2
[M+CH3COO]- 434.05438 216.8
[M+Na-2H]- 396.01520 184.5
[M]+ 375.03998 191.5
[M]- 375.04108 191.5
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.