CID 5928560

Nsc652559

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)/C(=N\N)/CCC4CCCC4)C)[N+](=O)[O-]
InChI
InChI=1S/C22H26N4O2/c1-13-11-20(26(27)28)14(2)21-17-12-16(8-10-19(17)24-22(13)21)18(25-23)9-7-15-5-3-4-6-15/h8,10-12,15,24H,3-7,9,23H2,1-2H3/b25-18-
InChIKey
IENGGWHOXBUMFT-BWAHOGKJSA-N
Compound name
(Z)-[3-cyclopentyl-1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)propylidene]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 190.1
[M+Na]+ 401.19479 194.7
[M-H]- 377.19829 197.1
[M+NH4]+ 396.23939 204.5
[M+K]+ 417.16873 184.6
[M+H-H2O]+ 361.20283 186.5
[M+HCOO]- 423.20377 211.3
[M+CH3COO]- 437.21942 219.9
[M+Na-2H]- 399.18024 191.5
[M]+ 378.20502 187.0
[M]- 378.20612 187.0
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.