CID 135494016

Nsc691837

Structural Information

Molecular Formula
C16H17N7O
SMILES
CC1=NNC(=O)C1C\2CC(=NN/C2=N\N)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H17N7O/c1-8-14(16(24)23-20-8)10-6-13(21-22-15(10)19-17)11-7-18-12-5-3-2-4-9(11)12/h2-5,7,10,14,18H,6,17H2,1H3,(H,19,22)(H,23,24)
InChIKey
CTTQMJAESJCGOF-UHFFFAOYSA-N
Compound name
4-[(6Z)-6-hydrazinylidene-3-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-5-yl]-3-methyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.14944 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15672 175.2
[M+Na]+ 346.13866 183.8
[M-H]- 322.14216 178.1
[M+NH4]+ 341.18326 185.1
[M+K]+ 362.11260 175.6
[M+H-H2O]+ 306.14670 165.0
[M+HCOO]- 368.14764 191.2
[M+CH3COO]- 382.16329 183.8
[M+Na-2H]- 344.12411 175.7
[M]+ 323.14889 169.2
[M]- 323.14999 169.2
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.