CID 135499695

N,11-dicyclopropyl-4-(trifluoromethyl)-5h-dipyrido[[?],[?]][1,4]diazepin-6-imine

Structural Information

Molecular Formula
C18H16F3N5
SMILES
C1CC1N=C2C3=C(N=CC=C3)N(C4=NC=CC(=C4N2)C(F)(F)F)C5CC5
InChI
InChI=1S/C18H16F3N5/c19-18(20,21)13-7-9-23-17-14(13)25-15(24-10-3-4-10)12-2-1-8-22-16(12)26(17)11-5-6-11/h1-2,7-11H,3-6H2,(H,24,25)
InChIKey
KBAOUAYMOKRZFF-UHFFFAOYSA-N
Compound name
N,2-dicyclopropyl-7-(trifluoromethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.13577 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.14305 190.0
[M+Na]+ 382.12499 197.7
[M-H]- 358.12849 192.7
[M+NH4]+ 377.16959 189.2
[M+K]+ 398.09893 193.6
[M+H-H2O]+ 342.13303 178.4
[M+HCOO]- 404.13397 200.0
[M+CH3COO]- 418.14962 194.8
[M+Na-2H]- 380.11044 191.8
[M]+ 359.13522 185.9
[M]- 359.13632 185.9
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.