CID 3047779

Napirimus

Structural Information

Molecular Formula
C17H13NO3
SMILES
CN1C=C(C=C1C(=O)O)C(=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C17H13NO3/c1-18-10-12(9-15(18)17(20)21)16(19)14-8-4-6-11-5-2-3-7-13(11)14/h2-10H,1H3,(H,20,21)
InChIKey
CNUPQURTHORUGH-UHFFFAOYSA-N
Compound name
1-methyl-4-(naphthalene-1-carbonyl)pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

279.08954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.09682 162.1
[M+Na]+ 302.07876 171.6
[M-H]- 278.08226 168.2
[M+NH4]+ 297.12336 178.8
[M+K]+ 318.05270 167.0
[M+H-H2O]+ 262.08680 154.6
[M+HCOO]- 324.08774 183.6
[M+CH3COO]- 338.10339 198.2
[M+Na-2H]- 300.06421 165.0
[M]+ 279.08899 164.7
[M]- 279.09009 164.7
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