CID 204493

Oco 100

Structural Information

Molecular Formula
C16H22Cl2N2O2
SMILES
CC1=C(C=C(C=C1)N(CCCl)CCCl)C(=O)N2CCOCC2
InChI
InChI=1S/C16H22Cl2N2O2/c1-13-2-3-14(19(6-4-17)7-5-18)12-15(13)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3
InChIKey
XEBTYTXHEIYRFQ-UHFFFAOYSA-N
Compound name
[5-[bis(2-chloroethyl)amino]-2-methylphenyl]-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11311 180.6
[M+Na]+ 367.09505 185.6
[M-H]- 343.09855 185.8
[M+NH4]+ 362.13965 192.7
[M+K]+ 383.06899 181.8
[M+H-H2O]+ 327.10309 172.6
[M+HCOO]- 389.10403 189.2
[M+CH3COO]- 403.11968 213.5
[M+Na-2H]- 365.08050 181.1
[M]+ 344.10528 183.4
[M]- 344.10638 183.4
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.