CID 209590

1-(butylamino)-3-(4-chloro-o-toluidino)-2-propanol

Structural Information

Molecular Formula
C14H23ClN2O
SMILES
CCCCNCC(CNC1=C(C=C(C=C1)Cl)C)O
InChI
InChI=1S/C14H23ClN2O/c1-3-4-7-16-9-13(18)10-17-14-6-5-12(15)8-11(14)2/h5-6,8,13,16-18H,3-4,7,9-10H2,1-2H3
InChIKey
FYDPXVAKQXJKIM-UHFFFAOYSA-N
Compound name
1-(butylamino)-3-(4-chloro-2-methylanilino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1499 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15718 165.2
[M+Na]+ 293.13912 170.7
[M-H]- 269.14262 166.9
[M+NH4]+ 288.18372 181.6
[M+K]+ 309.11306 165.6
[M+H-H2O]+ 253.14716 159.3
[M+HCOO]- 315.14810 183.3
[M+CH3COO]- 329.16375 202.6
[M+Na-2H]- 291.12457 167.6
[M]+ 270.14935 167.2
[M]- 270.15045 167.2
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

No patent data available for this compound.