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]+ 371.187776 188.5
[M+Na]+ 393.169718 195.3
[M-H]- 369.173224 193.8
[M+NH4]+ 388.214323 200.4
[M+K]+ 409.143658 186.2
[M+H-H2O]+ 353.177760 181.7
[M+HCOO]- 415.178701 211.3
[M+CH3COO]- 429.194351 219.4
[M+Na-2H]- 391.155166 192.8
[M]+ 370.17995142 191.0
[M]- 370.18104858 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.