CID 15957483

1h-carbazole-1-acetic acid, 8-(aminocarbonyl)-5-cyano-2,3,4,4a,9,9a-hexahydro-1-propyl-

Structural Information

Molecular Formula
C19H23N3O3
SMILES
CCCC1(CCCC2C1NC3=C(C=CC(=C23)C#N)C(=O)N)CC(=O)O
InChI
InChI=1S/C19H23N3O3/c1-2-7-19(9-14(23)24)8-3-4-12-15-11(10-20)5-6-13(18(21)25)16(15)22-17(12)19/h5-6,12,17,22H,2-4,7-9H2,1H3,(H2,21,25)(H,23,24)
InChIKey
MMQUYWRCIIPJOG-UHFFFAOYSA-N
Compound name
2-(8-carbamoyl-5-cyano-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.17395 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.18123 185.7
[M+Na]+ 364.16317 193.9
[M-H]- 340.16667 185.3
[M+NH4]+ 359.20777 199.9
[M+K]+ 380.13711 185.3
[M+H-H2O]+ 324.17121 173.3
[M+HCOO]- 386.17215 195.1
[M+CH3COO]- 400.18780 220.9
[M+Na-2H]- 362.14862 184.1
[M]+ 341.17340 177.0
[M]- 341.17450 177.0
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.