CID 3060032

77587-89-4

Structural Information

Molecular Formula
C21H25N5O
SMILES
CCCC(N(CC1=C(NC2=CC=CC=C21)C3=CC=CC=N3)C4=NCCN4)O
InChI
InChI=1S/C21H25N5O/c1-2-7-19(27)26(21-23-12-13-24-21)14-16-15-8-3-4-9-17(15)25-20(16)18-10-5-6-11-22-18/h3-6,8-11,19,25,27H,2,7,12-14H2,1H3,(H,23,24)
InChIKey
DXZLRUFMQKFGEY-UHFFFAOYSA-N
Compound name
1-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-2-yl-1H-indol-3-yl)methyl]amino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.2059 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.21318 187.0
[M+Na]+ 386.19512 198.6
[M+NH4]+ 381.23972 192.9
[M+K]+ 402.16906 196.0
[M-H]- 362.19862 190.2
[M+Na-2H]- 384.18057 193.9
[M]+ 363.20535 189.3
[M]- 363.20645 189.3
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.