CID 5274497

Schembl14403142

Structural Information

Molecular Formula
C20H14N4O5
SMILES
C1=CC=C2C(=C1)C3C(N2CC(=O)O)C=C(C(=O)N3C4=CC=C(C=C4)[N+](=O)[O-])C#N
InChI
InChI=1S/C20H14N4O5/c21-10-12-9-17-19(15-3-1-2-4-16(15)22(17)11-18(25)26)23(20(12)27)13-5-7-14(8-6-13)24(28)29/h1-9,17,19H,11H2,(H,25,26)
InChIKey
CZFLVUFYBYJATQ-UHFFFAOYSA-N
Compound name
2-[3-cyano-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

390.0964 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10368 196.1
[M+Na]+ 413.08562 204.5
[M-H]- 389.08912 198.6
[M+NH4]+ 408.13022 204.7
[M+K]+ 429.05956 192.6
[M+H-H2O]+ 373.09366 184.4
[M+HCOO]- 435.09460 208.3
[M+CH3COO]- 449.11025 222.9
[M+Na-2H]- 411.07107 197.7
[M]+ 390.09585 188.9
[M]- 390.09695 188.9
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