CID 9907241

Cns-1237

Structural Information

Molecular Formula
C24H21N3O
SMILES
COC1=CC=C(C2=CC=CC=C21)NC(=NC3=CC=C4CCC5=C4C3=CC=C5)N
InChI
InChI=1S/C24H21N3O/c1-28-22-14-13-20(17-6-2-3-7-18(17)22)26-24(25)27-21-12-11-16-10-9-15-5-4-8-19(21)23(15)16/h2-8,11-14H,9-10H2,1H3,(H3,25,26,27)
InChIKey
AZZRFSWIWLKNLQ-UHFFFAOYSA-N
Compound name
2-(1,2-dihydroacenaphthylen-5-yl)-1-(4-methoxynaphthalen-1-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

56
Patents

367.16846 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.175736 184.1
[M+Na]+ 390.157678 191.3
[M-H]- 366.161184 193.7
[M+NH4]+ 385.202283 200.8
[M+K]+ 406.131618 185.0
[M+H-H2O]+ 350.165720 174.8
[M+HCOO]- 412.166661 208.0
[M+CH3COO]- 426.182311 194.8
[M+Na-2H]- 388.143126 190.7
[M]+ 367.16791142 185.8
[M]- 367.16900858 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

literature stripe

Patent stripe

patents stripe