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]+ 385.18703 191.3
[M+Na]+ 407.16897 201.6
[M+NH4]+ 402.21357 195.3
[M+K]+ 423.14291 197.1
[M-H]- 383.17247 194.8
[M+Na-2H]- 405.15442 196.4
[M]+ 384.17920 193.2
[M]- 384.18030 193.2
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

patents stripe