CID 6410705

150594-92-6

Structural Information

Molecular Formula
C19H21N5O3
SMILES
C1CC(CCC1C(=O)O)NC(=O)C2=CC(=NN=C2)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C19H21N5O3/c20-17(21)12-3-1-11(2-4-12)16-9-14(10-22-24-16)18(25)23-15-7-5-13(6-8-15)19(26)27/h1-4,9-10,13,15H,5-8H2,(H3,20,21)(H,23,25)(H,26,27)
InChIKey
JKIQGKHMVXIMBR-UHFFFAOYSA-N
Compound name
4-[[6-(4-carbamimidoylphenyl)pyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

367.16443 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.171706 185.1
[M+Na]+ 390.153648 187.1
[M-H]- 366.157154 189.6
[M+NH4]+ 385.198253 191.6
[M+K]+ 406.127588 182.6
[M+H-H2O]+ 350.161690 174.4
[M+HCOO]- 412.162631 201.3
[M+CH3COO]- 426.178281 222.1
[M+Na-2H]- 388.139096 185.4
[M]+ 367.16388142 176.8
[M]- 367.16497858 176.8
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