CID 149797386

Etodesnitazene

Structural Information

Molecular Formula
C22H29N3O
SMILES
CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OCC
InChI
InChI=1S/C22H29N3O/c1-4-24(5-2)15-16-25-21-10-8-7-9-20(21)23-22(25)17-18-11-13-19(14-12-18)26-6-3/h7-14H,4-6,15-17H2,1-3H3
InChIKey
BMLPNUNXHUGDOI-UHFFFAOYSA-N
Compound name
2-[2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

28
Patents

351.23105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 188.9
[M+Na]+ 374.22027 196.1
[M-H]- 350.22377 195.0
[M+NH4]+ 369.26487 202.6
[M+K]+ 390.19421 191.0
[M+H-H2O]+ 334.22831 178.3
[M+HCOO]- 396.22925 211.5
[M+CH3COO]- 410.24490 221.9
[M+Na-2H]- 372.20572 191.4
[M]+ 351.23050 195.7
[M]- 351.23160 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe