CID 3068105

Benzenamine, n,n-bis(2-chloroethyl)-4-(decyloxy)-

Structural Information

Molecular Formula
C20H33Cl2NO
SMILES
CCCCCCCCCCOC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C20H33Cl2NO/c1-2-3-4-5-6-7-8-9-18-24-20-12-10-19(11-13-20)23(16-14-21)17-15-22/h10-13H,2-9,14-18H2,1H3
InChIKey
MQNZFNWCVNGZAX-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-decoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1939 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20118 194.2
[M+Na]+ 396.18312 198.3
[M-H]- 372.18662 196.3
[M+NH4]+ 391.22772 208.2
[M+K]+ 412.15706 191.8
[M+H-H2O]+ 356.19116 187.1
[M+HCOO]- 418.19210 207.0
[M+CH3COO]- 432.20775 223.3
[M+Na-2H]- 394.16857 193.8
[M]+ 373.19335 203.4
[M]- 373.19445 203.4
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.