CID 154699825

T2at2je6gj

Structural Information

Molecular Formula
C18H18N2O4
SMILES
CC1=C(NC(=C1CCC(=O)O)C)/C=C\2/C3=C(C(=CC=C3)O)NC2=O
InChI
InChI=1S/C18H18N2O4/c1-9-11(6-7-16(22)23)10(2)19-14(9)8-13-12-4-3-5-15(21)17(12)20-18(13)24/h3-5,8,19,21H,6-7H2,1-2H3,(H,20,24)(H,22,23)/b13-8-
InChIKey
NTSFCHHACMZKEA-JYRVWZFOSA-N
Compound name
3-[5-[(Z)-(7-hydroxy-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.12665 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13393 178.0
[M+Na]+ 349.11587 186.5
[M-H]- 325.11937 179.1
[M+NH4]+ 344.16047 191.8
[M+K]+ 365.08981 179.6
[M+H-H2O]+ 309.12391 172.0
[M+HCOO]- 371.12485 192.5
[M+CH3COO]- 385.14050 201.7
[M+Na-2H]- 347.10132 173.9
[M]+ 326.12610 176.6
[M]- 326.12720 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.