CID 46018

Tl-1073

Structural Information

Molecular Formula
C18H29Cl2N2O2
SMILES
CC1=C(C=C(C=C1OC(=O)N(CCCl)CCCl)C(C)C)[N+](C)(C)C
InChI
InChI=1S/C18H29Cl2N2O2/c1-13(2)15-11-16(22(4,5)6)14(3)17(12-15)24-18(23)21(9-7-19)10-8-20/h11-13H,7-10H2,1-6H3/q+1
InChIKey
BJSMWANBHWPODB-UHFFFAOYSA-N
Compound name
[3-[bis(2-chloroethyl)carbamoyloxy]-2-methyl-5-propan-2-ylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1606 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.16788 188.7
[M+Na]+ 398.14982 201.7
[M+NH4]+ 393.19442 196.7
[M+K]+ 414.12376 195.4
[M-H]- 374.15332 192.6
[M+Na-2H]- 396.13527 193.9
[M]+ 375.16005 192.6
[M]- 375.16115 192.6
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.