CID 3068107

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

Structural Information

Molecular Formula
C24H41Cl2NO
SMILES
CCCCCCCCCCCCCCOC1=CC=C(C=C1)N(CCCl)CCCl
InChI
InChI=1S/C24H41Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-28-24-16-14-23(15-17-24)27(20-18-25)21-19-26/h14-17H,2-13,18-22H2,1H3
InChIKey
ZHFCRFLIZTVRLE-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-tetradecoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.25653 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.26381 212.0
[M+Na]+ 452.24575 214.5
[M-H]- 428.24925 213.4
[M+NH4]+ 447.29035 223.8
[M+K]+ 468.21969 207.0
[M+H-H2O]+ 412.25379 204.1
[M+HCOO]- 474.25473 223.6
[M+CH3COO]- 488.27038 234.8
[M+Na-2H]- 450.23120 209.5
[M]+ 429.25598 222.7
[M]- 429.25708 222.7
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.