CID 9843779

Rwj-49968

Structural Information

Molecular Formula
C23H28ClN3O
SMILES
C1CC=CC(C1)(CCOC2=CC=C(C=C2)CN=C(N)N)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C23H28ClN3O/c24-20-6-4-5-19(15-20)16-23(11-2-1-3-12-23)13-14-28-21-9-7-18(8-10-21)17-27-22(25)26/h2,4-11,15H,1,3,12-14,16-17H2,(H4,25,26,27)
InChIKey
VJXVVAAVNHDMTH-UHFFFAOYSA-N
Compound name
2-[[4-[2-[1-[(3-chlorophenyl)methyl]cyclohex-2-en-1-yl]ethoxy]phenyl]methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.19208 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19936 198.0
[M+Na]+ 420.18130 201.5
[M-H]- 396.18480 206.4
[M+NH4]+ 415.22590 210.5
[M+K]+ 436.15524 194.7
[M+H-H2O]+ 380.18934 188.4
[M+HCOO]- 442.19028 216.0
[M+CH3COO]- 456.20593 228.5
[M+Na-2H]- 418.16675 199.4
[M]+ 397.19153 196.2
[M]- 397.19263 196.2
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.