CID 459473

4-[(3-methylbenzo[e]benzimidazol-2-yl)methyl]morpholine

Structural Information

Molecular Formula
C17H19N3O
SMILES
CN1C2=C(C3=CC=CC=C3C=C2)N=C1CN4CCOCC4
InChI
InChI=1S/C17H19N3O/c1-19-15-7-6-13-4-2-3-5-14(13)17(15)18-16(19)12-20-8-10-21-11-9-20/h2-7H,8-12H2,1H3
InChIKey
XJYFUCCIXYEJCC-UHFFFAOYSA-N
Compound name
4-[(3-methylbenzo[e]benzimidazol-2-yl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.0
[M+Na]+ 304.14202 174.9
[M-H]- 280.14552 170.8
[M+NH4]+ 299.18662 180.2
[M+K]+ 320.11596 170.1
[M+H-H2O]+ 264.15006 155.8
[M+HCOO]- 326.15100 181.9
[M+CH3COO]- 340.16665 176.9
[M+Na-2H]- 302.12747 171.2
[M]+ 281.15225 166.0
[M]- 281.15335 166.0
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.