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 174.1
[M+Na]+ 349.15228 181.4
[M-H]- 325.15578 181.6
[M+NH4]+ 344.19688 181.0
[M+K]+ 365.12622 175.8
[M+H-H2O]+ 309.16032 165.4
[M+HCOO]- 371.16126 194.7
[M+CH3COO]- 385.17691 212.6
[M+Na-2H]- 347.13773 175.7
[M]+ 326.16251 176.8
[M]- 326.16361 176.8
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.