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]+ 371.19655 190.3
[M+Na]+ 393.17849 196.4
[M-H]- 369.18199 196.9
[M+NH4]+ 388.22309 205.6
[M+K]+ 409.15243 192.6
[M+H-H2O]+ 353.18653 182.7
[M+HCOO]- 415.18747 211.2
[M+CH3COO]- 429.20312 218.8
[M+Na-2H]- 391.16394 187.3
[M]+ 370.18872 194.2
[M]- 370.18982 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