CID 129637

Succinic acid mono-3-guaiazulenamide

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)NC(=O)CCC(=O)O
InChI
InChI=1S/C19H23NO3/c1-11(2)14-6-5-12(3)19-15(10-14)13(4)9-16(19)20-17(21)7-8-18(22)23/h5-6,9-11H,7-8H2,1-4H3,(H,20,21)(H,22,23)
InChIKey
KIBVWPFAMGQHER-UHFFFAOYSA-N
Compound name
4-[(3,8-dimethyl-5-propan-2-ylazulen-1-yl)amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 173.2
[M+Na]+ 336.15702 178.9
[M-H]- 312.16052 178.5
[M+NH4]+ 331.20162 189.4
[M+K]+ 352.13096 180.3
[M+H-H2O]+ 296.16506 168.4
[M+HCOO]- 358.16600 193.4
[M+CH3COO]- 372.18165 212.0
[M+Na-2H]- 334.14247 171.6
[M]+ 313.16725 174.3
[M]- 313.16835 174.3
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.