CID 13481172

103638-56-8

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CC(C)NCC(COC1=NC=CC(=C1C#N)NC2=CC=CC=C2)O
InChI
InChI=1S/C18H22N4O2/c1-13(2)21-11-15(23)12-24-18-16(10-19)17(8-9-20-18)22-14-6-4-3-5-7-14/h3-9,13,15,21,23H,11-12H2,1-2H3,(H,20,22)
InChIKey
LMVWDRUHFXKLSW-UHFFFAOYSA-N
Compound name
4-anilino-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 182.2
[M+Na]+ 349.16352 192.1
[M+NH4]+ 344.20812 184.6
[M+K]+ 365.13746 182.8
[M-H]- 325.16702 178.0
[M+Na-2H]- 347.14897 185.5
[M]+ 326.17375 181.3
[M]- 326.17485 181.3
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.