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]+ 327.181576 180.7
[M+Na]+ 349.163518 186.3
[M-H]- 325.167024 182.5
[M+NH4]+ 344.208123 190.0
[M+K]+ 365.137458 181.8
[M+H-H2O]+ 309.171560 164.7
[M+HCOO]- 371.172501 197.4
[M+CH3COO]- 385.188151 222.5
[M+Na-2H]- 347.148966 182.4
[M]+ 326.17375142 175.0
[M]- 326.17484858 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.