CID 3038439

40713-30-2

Structural Information

Molecular Formula
C24H35Cl2NO
SMILES
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)N(CCCl)CCCl)C
InChI
InChI=1S/C24H35Cl2NO/c1-17(2)18-6-8-20-19(16-18)7-9-21-23(20,3)10-5-11-24(21,4)22(28)27(14-12-25)15-13-26/h6,8,16-17,21H,5,7,9-15H2,1-4H3
InChIKey
LOSGHRQWNIGQEN-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.20956 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.21684 201.5
[M+Na]+ 446.19878 206.1
[M-H]- 422.20228 205.2
[M+NH4]+ 441.24338 219.2
[M+K]+ 462.17272 199.7
[M+H-H2O]+ 406.20682 195.7
[M+HCOO]- 468.20776 205.3
[M+CH3COO]- 482.22341 233.0
[M+Na-2H]- 444.18423 200.1
[M]+ 423.20901 203.5
[M]- 423.21011 203.5
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.