CID 3068972

84138-24-9

Structural Information

Molecular Formula
C18H15N5O3S
SMILES
C1=CC=C2C(=C1)N=C(N2CNC3=NC=CS3)COC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C18H15N5O3S/c24-23(25)13-5-7-14(8-6-13)26-11-17-21-15-3-1-2-4-16(15)22(17)12-20-18-19-9-10-27-18/h1-10H,11-12H2,(H,19,20)
InChIKey
WZFPJMASKORCHA-UHFFFAOYSA-N
Compound name
N-[[2-[(4-nitrophenoxy)methyl]benzimidazol-1-yl]methyl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.08957 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09685 182.5
[M+Na]+ 404.07879 190.2
[M-H]- 380.08229 191.0
[M+NH4]+ 399.12339 193.8
[M+K]+ 420.05273 180.7
[M+H-H2O]+ 364.08683 177.4
[M+HCOO]- 426.08777 202.9
[M+CH3COO]- 440.10342 210.9
[M+Na-2H]- 402.06424 188.2
[M]+ 381.08902 185.8
[M]- 381.09012 185.8
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.