CID 33288

26064-92-6

Structural Information

Molecular Formula
C14H23ClN2O
SMILES
CCN(CC)CCOCCC1=C(C=CC(=C1)N)Cl
InChI
InChI=1S/C14H23ClN2O/c1-3-17(4-2)8-10-18-9-7-12-11-13(16)5-6-14(12)15/h5-6,11H,3-4,7-10,16H2,1-2H3
InChIKey
OUHLKEWDTPIQTF-UHFFFAOYSA-N
Compound name
4-chloro-3-[2-[2-(diethylamino)ethoxy]ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1499 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15718 165.6
[M+Na]+ 293.13912 171.9
[M-H]- 269.14262 169.5
[M+NH4]+ 288.18372 183.1
[M+K]+ 309.11306 168.1
[M+H-H2O]+ 253.14716 159.0
[M+HCOO]- 315.14810 186.0
[M+CH3COO]- 329.16375 207.0
[M+Na-2H]- 291.12457 167.7
[M]+ 270.14935 170.2
[M]- 270.15045 170.2
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