CID 3068304

2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-3-(2-morpholinoethylamino)-2-propanol

Structural Information

Molecular Formula
C18H24Cl2N4O2
SMILES
C1COCCN1CCNCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H24Cl2N4O2/c19-15-1-2-16(17(20)11-15)18(25,13-24-6-4-22-14-24)12-21-3-5-23-7-9-26-10-8-23/h1-2,4,6,11,14,21,25H,3,5,7-10,12-13H2
InChIKey
NNVOHJKXDVJQJP-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(2-morpholin-4-ylethylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.12762 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.13490 193.5
[M+Na]+ 421.11684 198.0
[M-H]- 397.12034 196.5
[M+NH4]+ 416.16144 200.6
[M+K]+ 437.09078 192.0
[M+H-H2O]+ 381.12488 182.8
[M+HCOO]- 443.12582 197.6
[M+CH3COO]- 457.14147 215.9
[M+Na-2H]- 419.10229 194.7
[M]+ 398.12707 193.5
[M]- 398.12817 193.5
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