CID 3068971

84138-23-8

Structural Information

Molecular Formula
C20H17N5O3
SMILES
C1=CC=C2C(=C1)N=C(N2CNC3=CC=CC=N3)COC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H17N5O3/c26-25(27)15-8-10-16(11-9-15)28-13-20-23-17-5-1-2-6-18(17)24(20)14-22-19-7-3-4-12-21-19/h1-12H,13-14H2,(H,21,22)
InChIKey
WJTMTZDEOKKQML-UHFFFAOYSA-N
Compound name
N-[[2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.13315 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14043 183.6
[M+Na]+ 398.12237 189.8
[M-H]- 374.12587 190.9
[M+NH4]+ 393.16697 192.1
[M+K]+ 414.09631 179.8
[M+H-H2O]+ 358.13041 175.9
[M+HCOO]- 420.13135 206.8
[M+CH3COO]- 434.14700 213.4
[M+Na-2H]- 396.10782 193.0
[M]+ 375.13260 184.4
[M]- 375.13370 184.4
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.