CID 478880

Isonaamine b

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CN1C(=CN(C1=N)CC2=CC=C(C=C2)O)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C19H21N3O2/c1-21-16(11-14-5-9-18(24-2)10-6-14)13-22(19(21)20)12-15-3-7-17(23)8-4-15/h3-10,13,20,23H,11-12H2,1-2H3
InChIKey
JIBAGYXFZSHPGG-UHFFFAOYSA-N
Compound name
4-[[2-imino-4-[(4-methoxyphenyl)methyl]-3-methylimidazol-1-yl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.1634 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 176.9
[M+Na]+ 346.15262 185.9
[M-H]- 322.15612 183.8
[M+NH4]+ 341.19722 189.5
[M+K]+ 362.12656 179.6
[M+H-H2O]+ 306.16066 167.2
[M+HCOO]- 368.16160 199.1
[M+CH3COO]- 382.17725 209.9
[M+Na-2H]- 344.13807 178.5
[M]+ 323.16285 178.5
[M]- 323.16395 178.5
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.