CID 11820992

1h-pyrido[3,2-b]indole-3-carboximidamide, 2,4a,5,9b-tetrahydro-n'-hydroxy-5-methyl-1-(4-nitrophenyl)-2-oxo-

Structural Information

Molecular Formula
C19H17N5O4
SMILES
CN1C2C=C(C(=O)N(C2C3=CC=CC=C31)C4=CC=C(C=C4)[N+](=O)[O-])/C(=N/O)/N
InChI
InChI=1S/C19H17N5O4/c1-22-15-5-3-2-4-13(15)17-16(22)10-14(18(20)21-26)19(25)23(17)11-6-8-12(9-7-11)24(27)28/h2-10,16-17,26H,1H3,(H2,20,21)
InChIKey
XABITCSFDVJXKQ-UHFFFAOYSA-N
Compound name
N'-hydroxy-5-methyl-1-(4-nitrophenyl)-2-oxo-4a,9b-dihydropyrido[3,2-b]indole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.12805 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.13533 183.8
[M+Na]+ 402.11727 189.5
[M-H]- 378.12077 189.7
[M+NH4]+ 397.16187 194.7
[M+K]+ 418.09121 180.6
[M+H-H2O]+ 362.12531 178.9
[M+HCOO]- 424.12625 202.9
[M+CH3COO]- 438.14190 219.1
[M+Na-2H]- 400.10272 188.6
[M]+ 379.12750 180.3
[M]- 379.12860 180.3
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

No patent data available for this compound.