CID 3068988

84138-40-9

Structural Information

Molecular Formula
C19H20N4O4
SMILES
C1COCCN1CN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O4/c24-23(25)15-5-7-16(8-6-15)27-13-19-20-17-3-1-2-4-18(17)22(19)14-21-9-11-26-12-10-21/h1-8H,9-14H2
InChIKey
ANYYCJPPBIYHKU-UHFFFAOYSA-N
Compound name
4-[[2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14847 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 184.1
[M+Na]+ 391.13769 188.9
[M-H]- 367.14119 191.1
[M+NH4]+ 386.18229 191.7
[M+K]+ 407.11163 181.1
[M+H-H2O]+ 351.14573 176.7
[M+HCOO]- 413.14667 201.7
[M+CH3COO]- 427.16232 209.0
[M+Na-2H]- 389.12314 190.5
[M]+ 368.14792 183.0
[M]- 368.14902 183.0
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.