CID 134282238

Schembl19897414

Structural Information

Molecular Formula
C21H24N4O2
SMILES
CC1=C(C=CC=C1NC(=O)C2=NC=C(N2C)CNCCO)C3=CC=CC=C3
InChI
InChI=1S/C21H24N4O2/c1-15-18(16-7-4-3-5-8-16)9-6-10-19(15)24-21(27)20-23-14-17(25(20)2)13-22-11-12-26/h3-10,14,22,26H,11-13H2,1-2H3,(H,24,27)
InChIKey
NMRCIXCIRVZQNY-UHFFFAOYSA-N
Compound name
5-[(2-hydroxyethylamino)methyl]-1-methyl-N-(2-methyl-3-phenylphenyl)imidazole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

364.1899 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19718 188.2
[M+Na]+ 387.17912 194.1
[M-H]- 363.18262 194.5
[M+NH4]+ 382.22372 198.4
[M+K]+ 403.15306 188.1
[M+H-H2O]+ 347.18716 177.7
[M+HCOO]- 409.18810 209.9
[M+CH3COO]- 423.20375 219.9
[M+Na-2H]- 385.16457 189.2
[M]+ 364.18935 188.7
[M]- 364.19045 188.7
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

patents stripe