CID 3060020

77587-70-3

Structural Information

Molecular Formula
C16H22N4O
SMILES
CCCC(N(CC1=CNC2=CC=CC=C21)C3=NCCN3)O
InChI
InChI=1S/C16H22N4O/c1-2-5-15(21)20(16-17-8-9-18-16)11-12-10-19-14-7-4-3-6-13(12)14/h3-4,6-7,10,15,19,21H,2,5,8-9,11H2,1H3,(H,17,18)
InChIKey
DZMPLJASOLZUCQ-UHFFFAOYSA-N
Compound name
1-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.17935 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18663 166.9
[M+Na]+ 309.16857 172.2
[M-H]- 285.17207 168.2
[M+NH4]+ 304.21317 181.1
[M+K]+ 325.14251 167.4
[M+H-H2O]+ 269.17661 157.9
[M+HCOO]- 331.17755 184.4
[M+CH3COO]- 345.19320 176.3
[M+Na-2H]- 307.15402 168.3
[M]+ 286.17880 164.9
[M]- 286.17990 164.9
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.