CID 16728634

Chembl240838

Structural Information

Molecular Formula
C19H23ClN4O
SMILES
CC(C)(C)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)Cl)/C=N/N=C(N)N
InChI
InChI=1S/C19H23ClN4O/c1-19(2,3)15-6-9-17(14(10-15)11-23-24-18(21)22)25-12-13-4-7-16(20)8-5-13/h4-11H,12H2,1-3H3,(H4,21,22,24)/b23-11+
InChIKey
RQABRMDJDHEIHT-FOKLQQMPSA-N
Compound name
2-[(E)-[5-tert-butyl-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.15604 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16332 189.8
[M+Na]+ 381.14526 196.1
[M-H]- 357.14876 198.1
[M+NH4]+ 376.18986 203.4
[M+K]+ 397.11920 190.9
[M+H-H2O]+ 341.15330 181.4
[M+HCOO]- 403.15424 211.7
[M+CH3COO]- 417.16989 227.7
[M+Na-2H]- 379.13071 192.2
[M]+ 358.15549 191.7
[M]- 358.15659 191.7
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

No patent data available for this compound.