CID 3068973

84138-25-0

Structural Information

Molecular Formula
C19H20N4O3
SMILES
C1CCN(C1)CN2C3=CC=CC=C3N=C2COC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C19H20N4O3/c24-23(25)15-7-9-16(10-8-15)26-13-19-20-17-5-1-2-6-18(17)22(19)14-21-11-3-4-12-21/h1-2,5-10H,3-4,11-14H2
InChIKey
CUUVGTTYXBWGTB-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenoxy)methyl]-1-(pyrrolidin-1-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.15353 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16081 180.0
[M+Na]+ 375.14275 194.0
[M+NH4]+ 370.18735 187.2
[M+K]+ 391.11669 192.8
[M-H]- 351.14625 185.5
[M+Na-2H]- 373.12820 187.6
[M]+ 352.15298 183.3
[M]- 352.15408 183.3
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.