CID 15957482

1h-carbazole-1-acetic acid, 5,8-dicyano-2,3,4,4a,9,9a-hexahydro-1-propyl-

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CCCC1(CCCC2C1NC3=C(C=CC(=C23)C#N)C#N)CC(=O)O
InChI
InChI=1S/C19H21N3O2/c1-2-7-19(9-15(23)24)8-3-4-14-16-12(10-20)5-6-13(11-21)17(16)22-18(14)19/h5-6,14,18,22H,2-4,7-9H2,1H3,(H,23,24)
InChIKey
SHDANFSCIIEZGD-UHFFFAOYSA-N
Compound name
2-(5,8-dicyano-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

323.1634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 183.6
[M+Na]+ 346.15262 194.1
[M-H]- 322.15612 184.7
[M+NH4]+ 341.19722 195.2
[M+K]+ 362.12656 183.3
[M+H-H2O]+ 306.16066 168.7
[M+HCOO]- 368.16160 189.1
[M+CH3COO]- 382.17725 229.9
[M+Na-2H]- 344.13807 182.1
[M]+ 323.16285 173.8
[M]- 323.16395 173.8
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.