CID 156588967

Flunitazene

Structural Information

Molecular Formula
C20H23FN4O2
SMILES
CCN(CC)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])N=C1CC3=CC=C(C=C3)F
InChI
InChI=1S/C20H23FN4O2/c1-3-23(4-2)11-12-24-19-10-9-17(25(26)27)14-18(19)22-20(24)13-15-5-7-16(21)8-6-15/h5-10,14H,3-4,11-13H2,1-2H3
InChIKey
ZTWHIDCAGRMKTC-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-[(4-fluorophenyl)methyl]-5-nitrobenzimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.1805 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18778 188.5
[M+Na]+ 393.16972 195.3
[M-H]- 369.17322 193.8
[M+NH4]+ 388.21432 200.4
[M+K]+ 409.14366 186.2
[M+H-H2O]+ 353.17776 181.7
[M+HCOO]- 415.17870 211.3
[M+CH3COO]- 429.19435 219.4
[M+Na-2H]- 391.15517 192.8
[M]+ 370.17995 191.0
[M]- 370.18105 191.0
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.