CID 3060026

77587-77-0

Structural Information

Molecular Formula
C21H24N4O
SMILES
C1CN=C(N1)N(CCCO)CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H24N4O/c26-14-6-13-25(21-22-11-12-23-21)15-18-17-9-4-5-10-19(17)24-20(18)16-7-2-1-3-8-16/h1-5,7-10,24,26H,6,11-15H2,(H,22,23)
InChIKey
AUFJJPXORBRPHW-UHFFFAOYSA-N
Compound name
3-[4,5-dihydro-1H-imidazol-2-yl-[(2-phenyl-1H-indol-3-yl)methyl]amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.195 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.202276 180.7
[M+Na]+ 371.184218 186.2
[M-H]- 347.187724 185.2
[M+NH4]+ 366.228823 192.2
[M+K]+ 387.158158 179.1
[M+H-H2O]+ 331.192260 170.6
[M+HCOO]- 393.193201 198.8
[M+CH3COO]- 407.208851 189.4
[M+Na-2H]- 369.169666 182.2
[M]+ 348.19445142 179.0
[M]- 348.19554858 179.0
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.