CID 200476

2114-63-8

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=C(C(=CC=C1)N(C2=CC=CC=C2C(=O)O)N=O)C
InChI
InChI=1S/C15H14N2O3/c1-10-6-5-9-13(11(10)2)17(16-20)14-8-4-3-7-12(14)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKey
YOLMDHKDPNUCER-UHFFFAOYSA-N
Compound name
2-(2,3-dimethyl-N-nitrosoanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

270.10043 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.107706 159.5
[M+Na]+ 293.089648 166.8
[M-H]- 269.093154 168.2
[M+NH4]+ 288.134253 175.7
[M+K]+ 309.063588 165.2
[M+H-H2O]+ 253.097690 151.2
[M+HCOO]- 315.098631 186.0
[M+CH3COO]- 329.114281 207.3
[M+Na-2H]- 291.075096 163.7
[M]+ 270.09988142 162.1
[M]- 270.10097858 162.1
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