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]+ 349.20228 180.7
[M+Na]+ 371.18422 186.2
[M-H]- 347.18772 185.2
[M+NH4]+ 366.22882 192.2
[M+K]+ 387.15816 179.1
[M+H-H2O]+ 331.19226 170.6
[M+HCOO]- 393.19320 198.8
[M+CH3COO]- 407.20885 189.4
[M+Na-2H]- 369.16967 182.2
[M]+ 348.19445 179.0
[M]- 348.19555 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.