CID 209589

20014-03-3

Structural Information

Molecular Formula
C13H21ClN2O
SMILES
CC1=C(C=CC(=C1)Cl)NCC(CNC(C)C)O
InChI
InChI=1S/C13H21ClN2O/c1-9(2)15-7-12(17)8-16-13-5-4-11(14)6-10(13)3/h4-6,9,12,15-17H,7-8H2,1-3H3
InChIKey
XWGMISGMHKVJMR-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-methylanilino)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13425 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.14153 161.1
[M+Na]+ 279.12347 166.7
[M-H]- 255.12697 163.1
[M+NH4]+ 274.16807 178.0
[M+K]+ 295.09741 162.4
[M+H-H2O]+ 239.13151 155.6
[M+HCOO]- 301.13245 178.6
[M+CH3COO]- 315.14810 200.5
[M+Na-2H]- 277.10892 162.7
[M]+ 256.13370 162.1
[M]- 256.13480 162.1
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.