CID 6434762

63918-47-8

Structural Information

Molecular Formula
C18H21ClN2
SMILES
C/C=C/NCCNC(C1=CC=CC=C1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H21ClN2/c1-2-12-20-13-14-21-18(15-6-4-3-5-7-15)16-8-10-17(19)11-9-16/h2-12,18,20-21H,13-14H2,1H3/b12-2+
InChIKey
DXGQVUQMMGAWGZ-SWGQDTFXSA-N
Compound name
N'-[(4-chlorophenyl)-phenylmethyl]-N-[(E)-prop-1-enyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1393 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.146576 172.6
[M+Na]+ 323.128518 177.6
[M-H]- 299.132024 178.1
[M+NH4]+ 318.173123 187.7
[M+K]+ 339.102458 170.5
[M+H-H2O]+ 283.136560 164.8
[M+HCOO]- 345.137501 192.3
[M+CH3COO]- 359.153151 208.0
[M+Na-2H]- 321.113966 176.7
[M]+ 300.13875142 172.9
[M]- 300.13984858 172.9
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.