CID 508476

Schembl7083647

Structural Information

Molecular Formula
C18H21N5O
SMILES
CC1=NC(=C(C=C1)C(=O)NC(C)(C)C)NC2=CC3=C(C=C2)C=NN3
InChI
InChI=1S/C18H21N5O/c1-11-5-8-14(17(24)22-18(2,3)4)16(20-11)21-13-7-6-12-10-19-23-15(12)9-13/h5-10H,1-4H3,(H,19,23)(H,20,21)(H,22,24)
InChIKey
FTMQLUUNXLSNBP-UHFFFAOYSA-N
Compound name
N-tert-butyl-2-(1H-indazol-6-ylamino)-6-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

323.17462 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18190 178.9
[M+Na]+ 346.16384 187.0
[M-H]- 322.16734 182.4
[M+NH4]+ 341.20844 191.0
[M+K]+ 362.13778 181.1
[M+H-H2O]+ 306.17188 169.7
[M+HCOO]- 368.17282 198.3
[M+CH3COO]- 382.18847 211.6
[M+Na-2H]- 344.14929 184.7
[M]+ 323.17407 179.4
[M]- 323.17517 179.4
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