CID 3060034

77587-93-0

Structural Information

Molecular Formula
C21H25N5O
SMILES
CCCC(N(CC1=C(NC2=CC=CC=C21)C3=CN=CC=C3)C4=NCCN4)O
InChI
InChI=1S/C21H25N5O/c1-2-6-19(27)26(21-23-11-12-24-21)14-17-16-8-3-4-9-18(16)25-20(17)15-7-5-10-22-13-15/h3-5,7-10,13,19,25,27H,2,6,11-12,14H2,1H3,(H,23,24)
InChIKey
ABDGXZOKJRUICC-UHFFFAOYSA-N
Compound name
1-[4,5-dihydro-1H-imidazol-2-yl-[(2-pyridin-3-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 184.7
[M+Na]+ 386.19512 189.8
[M-H]- 362.19862 188.2
[M+NH4]+ 381.23972 194.1
[M+K]+ 402.16906 183.2
[M+H-H2O]+ 346.20316 174.0
[M+HCOO]- 408.20410 200.5
[M+CH3COO]- 422.21975 192.5
[M+Na-2H]- 384.18057 185.2
[M]+ 363.20535 182.9
[M]- 363.20645 182.9
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.