CID 378757

Nsc661913

Structural Information

Molecular Formula
C17H19Cl2N
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C17H19Cl2N/c18-15-2-1-11(6-16(15)19)10-20-17-7-12-3-13(8-17)5-14(4-12)9-17/h1-2,6,10,12-14H,3-5,7-9H2
InChIKey
YJZXPHHSCIRSBA-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(3,4-dichlorophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08945 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09673 169.7
[M+Na]+ 330.07867 174.5
[M-H]- 306.08217 168.8
[M+NH4]+ 325.12327 193.2
[M+K]+ 346.05261 167.6
[M+H-H2O]+ 290.08671 163.0
[M+HCOO]- 352.08765 170.8
[M+CH3COO]- 366.10330 177.8
[M+Na-2H]- 328.06412 178.4
[M]+ 307.08890 172.5
[M]- 307.09000 172.5
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.