CID 3060030

1-propanol, 3-(n-(2-imidazolin-2-yl)-n-(2-(p-methoxyphenyl)-3-indolylmethyl)amino)-, hydriodide

Structural Information

Molecular Formula
C22H26N4O2
SMILES
COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CN(CCCO)C4=NCCN4
InChI
InChI=1S/C22H26N4O2/c1-28-17-9-7-16(8-10-17)21-19(18-5-2-3-6-20(18)25-21)15-26(13-4-14-27)22-23-11-12-24-22/h2-3,5-10,25,27H,4,11-15H2,1H3,(H,23,24)
InChIKey
UEMADQXDBDKDFV-UHFFFAOYSA-N
Compound name
3-[4,5-dihydro-1H-imidazol-2-yl-[[2-(4-methoxyphenyl)-1H-indol-3-yl]methyl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 188.7
[M+Na]+ 401.19479 194.4
[M-H]- 377.19829 193.5
[M+NH4]+ 396.23939 199.1
[M+K]+ 417.16873 187.8
[M+H-H2O]+ 361.20283 178.6
[M+HCOO]- 423.20377 206.6
[M+CH3COO]- 437.21942 197.1
[M+Na-2H]- 399.18024 189.1
[M]+ 378.20502 189.0
[M]- 378.20612 189.0
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.