CID 508491

2-(1h-6-indazolylamino)-6-methyl-n-(3-pyridylcarbonyl)3-pyridinecarbohydrazide

Structural Information

Molecular Formula
C20H18N7O2
SMILES
CC1=[N+](C(=C(C=C1)C(=O)NN)NC2=CC3=C(C=C2)C=NN3)C(=O)C4=CN=CC=C4
InChI
InChI=1S/C20H17N7O2/c1-12-4-7-16(19(28)25-21)18(27(12)20(29)14-3-2-8-22-10-14)24-15-6-5-13-11-23-26-17(13)9-15/h2-11H,21H2,1H3,(H2,23,25,26,28)/p+1
InChIKey
TUPILKKCRANNFK-UHFFFAOYSA-O
Compound name
2-(1H-indazol-6-ylamino)-6-methyl-1-(pyridine-3-carbonyl)pyridin-1-ium-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1522 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15948 188.9
[M+Na]+ 411.14142 195.9
[M-H]- 387.14492 194.5
[M+NH4]+ 406.18602 195.1
[M+K]+ 427.11536 183.4
[M+H-H2O]+ 371.14946 180.1
[M+HCOO]- 433.15040 208.4
[M+CH3COO]- 447.16605 217.3
[M+Na-2H]- 409.12687 196.7
[M]+ 388.15165 186.3
[M]- 388.15275 186.3
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.