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 180.7
[M+Na]+ 349.16352 186.3
[M-H]- 325.16702 182.5
[M+NH4]+ 344.20812 190.0
[M+K]+ 365.13746 181.8
[M+H-H2O]+ 309.17156 164.7
[M+HCOO]- 371.17250 197.4
[M+CH3COO]- 385.18815 222.5
[M+Na-2H]- 347.14897 182.4
[M]+ 326.17375 175.0
[M]- 326.17485 175.0
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.