CID 465127

(3e)-3-ethylimino-n,5-bis[4-(trifluoromethyl)phenyl]phenazin-2-amine

Structural Information

Molecular Formula
C28H20F6N4
SMILES
CCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)C(F)(F)F)C=C1NC5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C28H20F6N4/c1-2-35-22-16-26-24(15-23(22)36-19-11-7-17(8-12-19)27(29,30)31)37-21-5-3-4-6-25(21)38(26)20-13-9-18(10-14-20)28(32,33)34/h3-16,36H,2H2,1H3
InChIKey
YUUMPNBFQRCXTQ-UHFFFAOYSA-N
Compound name
3-ethylimino-N,5-bis[4-(trifluoromethyl)phenyl]phenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

526.15924 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.16652 231.3
[M+Na]+ 549.14846 241.2
[M-H]- 525.15196 233.5
[M+NH4]+ 544.19306 236.0
[M+K]+ 565.12240 230.2
[M+H-H2O]+ 509.15650 212.8
[M+HCOO]- 571.15744 241.7
[M+CH3COO]- 585.17309 236.3
[M+Na-2H]- 547.13391 234.8
[M]+ 526.15869 225.1
[M]- 526.15979 225.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe