CID 30598

3'-chloro-2-diallylaminoacetanilide hydrochloride

Structural Information

Molecular Formula
C14H17ClN2O
SMILES
C=CCN(CC=C)CC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C14H17ClN2O/c1-3-8-17(9-4-2)11-14(18)16-13-7-5-6-12(15)10-13/h3-7,10H,1-2,8-9,11H2,(H,16,18)
InChIKey
ODBQHZFGCMUKKM-UHFFFAOYSA-N
Compound name
2-[bis(prop-2-enyl)amino]-N-(3-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

264.10294 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11022 162.3
[M+Na]+ 287.09216 168.4
[M-H]- 263.09566 166.6
[M+NH4]+ 282.13676 179.8
[M+K]+ 303.06610 163.7
[M+H-H2O]+ 247.10020 155.9
[M+HCOO]- 309.10114 183.0
[M+CH3COO]- 323.11679 204.1
[M+Na-2H]- 285.07761 165.1
[M]+ 264.10239 164.9
[M]- 264.10349 164.9
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

patents stripe