CID 6273655

Nsc652560

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CC/C(=N/O)/C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C
InChI
InChI=1S/C17H17N3O3/c1-4-13(19-21)11-5-6-14-12(8-11)16-10(3)15(20(22)23)7-9(2)17(16)18-14/h5-8,18,21H,4H2,1-3H3/b19-13-
InChIKey
KGAIHAUUDGFXDP-UYRXBGFRSA-N
Compound name
(NZ)-N-[1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)propylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12698 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 170.1
[M+Na]+ 334.11620 178.6
[M-H]- 310.11970 174.0
[M+NH4]+ 329.16080 186.1
[M+K]+ 350.09014 169.4
[M+H-H2O]+ 294.12424 167.7
[M+HCOO]- 356.12518 192.2
[M+CH3COO]- 370.14083 203.5
[M+Na-2H]- 332.10165 175.9
[M]+ 311.12643 171.0
[M]- 311.12753 171.0
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.