CID 3073592

150834-21-2

Structural Information

Molecular Formula
C20H24N4O4
SMILES
CN1C(=O)C(=CC(=N1)C2=CC=C(C=C2)CN)C(=O)NC3CCC(CC3)C(=O)O
InChI
InChI=1S/C20H24N4O4/c1-24-19(26)16(10-17(23-24)13-4-2-12(11-21)3-5-13)18(25)22-15-8-6-14(7-9-15)20(27)28/h2-5,10,14-15H,6-9,11,21H2,1H3,(H,22,25)(H,27,28)
InChIKey
JOBMLLGSSJMYLC-UHFFFAOYSA-N
Compound name
4-[[6-[4-(aminomethyl)phenyl]-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

384.17975 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.187026 191.7
[M+Na]+ 407.168968 195.9
[M-H]- 383.172474 196.7
[M+NH4]+ 402.213573 198.4
[M+K]+ 423.142908 191.3
[M+H-H2O]+ 367.177010 180.9
[M+HCOO]- 429.177951 207.5
[M+CH3COO]- 443.193601 223.7
[M+Na-2H]- 405.154416 190.2
[M]+ 384.17920142 187.1
[M]- 384.18029858 187.1
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