CID 508480

Schembl7081591

Structural Information

Molecular Formula
C20H26N6O
SMILES
CCN(CC)CCNC(=O)C1=C(N=C(C=C1)C)NC2=CC3=C(C=C2)C=NN3
InChI
InChI=1S/C20H26N6O/c1-4-26(5-2)11-10-21-20(27)17-9-6-14(3)23-19(17)24-16-8-7-15-13-22-25-18(15)12-16/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,27)(H,22,25)(H,23,24)
InChIKey
UYJGHKJEHHWKKL-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-(1H-indazol-6-ylamino)-6-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

366.2168 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22408 188.3
[M+Na]+ 389.20602 194.1
[M-H]- 365.20952 192.4
[M+NH4]+ 384.25062 198.6
[M+K]+ 405.17996 188.8
[M+H-H2O]+ 349.21406 177.4
[M+HCOO]- 411.21500 210.1
[M+CH3COO]- 425.23065 226.1
[M+Na-2H]- 387.19147 192.4
[M]+ 366.21625 190.6
[M]- 366.21735 190.6
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

patents stripe