CID 3060028

77587-79-2

Structural Information

Molecular Formula
C22H26N4O
SMILES
CCC(CN(CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C4=NCCN4)O
InChI
InChI=1S/C22H26N4O/c1-2-17(27)14-26(22-23-12-13-24-22)15-19-18-10-6-7-11-20(18)25-21(19)16-8-4-3-5-9-16/h3-11,17,25,27H,2,12-15H2,1H3,(H,23,24)
InChIKey
VXHYGFLKTGUYTM-UHFFFAOYSA-N
Compound name
1-[4,5-dihydro-1H-imidazol-2-yl-[(2-phenyl-1H-indol-3-yl)methyl]amino]butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.21066 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.217936 185.7
[M+Na]+ 385.199878 190.4
[M-H]- 361.203384 190.2
[M+NH4]+ 380.244483 196.5
[M+K]+ 401.173818 183.7
[M+H-H2O]+ 345.207920 175.6
[M+HCOO]- 407.208861 202.4
[M+CH3COO]- 421.224511 193.8
[M+Na-2H]- 383.185326 185.6
[M]+ 362.21011142 183.7
[M]- 362.21120858 183.7
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.