CID 212751

Brn 2754870

Structural Information

Molecular Formula
C17H26Cl2N2O
SMILES
CC(C)N(C(C)C)C(=O)C1=CC(=CC=C1)N(CCCl)CCCl
InChI
InChI=1S/C17H26Cl2N2O/c1-13(2)21(14(3)4)17(22)15-6-5-7-16(12-15)20(10-8-18)11-9-19/h5-7,12-14H,8-11H2,1-4H3
InChIKey
XKPKOXYZUGGBCT-UHFFFAOYSA-N
Compound name
3-[bis(2-chloroethyl)amino]-N,N-di(propan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1422 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14948 183.7
[M+Na]+ 367.13142 188.1
[M-H]- 343.13492 188.4
[M+NH4]+ 362.17602 199.1
[M+K]+ 383.10536 184.6
[M+H-H2O]+ 327.13946 177.6
[M+HCOO]- 389.14040 196.7
[M+CH3COO]- 403.15605 223.9
[M+Na-2H]- 365.11687 181.1
[M]+ 344.14165 190.3
[M]- 344.14275 190.3
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.