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 191.7
[M+Na]+ 407.16897 195.9
[M-H]- 383.17247 196.7
[M+NH4]+ 402.21357 198.4
[M+K]+ 423.14291 191.3
[M+H-H2O]+ 367.17701 180.9
[M+HCOO]- 429.17795 207.5
[M+CH3COO]- 443.19360 223.7
[M+Na-2H]- 405.15442 190.2
[M]+ 384.17920 187.1
[M]- 384.18030 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