CID 91844662

Methyl 4-[(1-cyclopentyl-5-methoxy-2-methyl-1h-indol-3-yl)formamido]but-2-enoate

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CC1=C(C2=C(N1C3CCCC3)C=CC(=C2)OC)C(=O)NC/C=C/C(=O)OC
InChI
InChI=1S/C21H26N2O4/c1-14-20(21(25)22-12-6-9-19(24)27-3)17-13-16(26-2)10-11-18(17)23(14)15-7-4-5-8-15/h6,9-11,13,15H,4-5,7-8,12H2,1-3H3,(H,22,25)/b9-6+
InChIKey
ONZCVJIBENGLKN-RMKNXTFCSA-N
Compound name
methyl (E)-4-[(1-cyclopentyl-5-methoxy-2-methylindole-3-carbonyl)amino]but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

370.18927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.196546 190.3
[M+Na]+ 393.178488 196.4
[M-H]- 369.181994 196.9
[M+NH4]+ 388.223093 205.6
[M+K]+ 409.152428 192.6
[M+H-H2O]+ 353.186530 182.7
[M+HCOO]- 415.187471 211.2
[M+CH3COO]- 429.203121 218.8
[M+Na-2H]- 391.163936 187.3
[M]+ 370.18872142 194.2
[M]- 370.18981858 194.2
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