CID 72124

Siguazodan

Structural Information

Molecular Formula
C14H16N6O
SMILES
CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=NC)NC#N
InChI
InChI=1S/C14H16N6O/c1-9-7-12(21)19-20-13(9)10-3-5-11(6-4-10)18-14(16-2)17-8-15/h3-6,9H,7H2,1-2H3,(H,19,21)(H2,16,17,18)
InChIKey
NUHPODZZKHQQET-UHFFFAOYSA-N
Compound name
1-cyano-2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

46
References

1321
Patents

284.13855 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14583 169.1
[M+Na]+ 307.12777 175.7
[M-H]- 283.13127 171.1
[M+NH4]+ 302.17237 179.3
[M+K]+ 323.10171 171.2
[M+H-H2O]+ 267.13581 152.8
[M+HCOO]- 329.13675 186.4
[M+CH3COO]- 343.15240 216.9
[M+Na-2H]- 305.11322 172.2
[M]+ 284.13800 159.3
[M]- 284.13910 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe