CID 49723

Brn 1593453

Structural Information

Molecular Formula
C19H22N2O3
SMILES
CC1=CC(=N)N(C=C1)CC(COC2=CC=C(C=C2)C(=O)C3CC3)O
InChI
InChI=1S/C19H22N2O3/c1-13-8-9-21(18(20)10-13)11-16(22)12-24-17-6-4-15(5-7-17)19(23)14-2-3-14/h4-10,14,16,20,22H,2-3,11-12H2,1H3
InChIKey
KBNWIAZKVDKJEE-UHFFFAOYSA-N
Compound name
cyclopropyl-[4-[2-hydroxy-3-(2-imino-4-methylpyridin-1-yl)propoxy]phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.16306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17034 177.9
[M+Na]+ 349.15228 191.5
[M+NH4]+ 344.19688 184.7
[M+K]+ 365.12622 186.6
[M-H]- 325.15578 188.8
[M+Na-2H]- 347.13773 187.5
[M]+ 326.16251 183.9
[M]- 326.16361 183.9
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.