CID 5868573

Nsc641829

Structural Information

Molecular Formula
C25H35N5O2
SMILES
CCCCN(CCCC)CC(/C(=N\NC(=O)C1=CC=NC=C1)/C)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C25H35N5O2/c1-4-6-17-30(18-7-5-2)19-23(25(32)27-22-11-9-8-10-12-22)20(3)28-29-24(31)21-13-15-26-16-14-21/h8-16,23H,4-7,17-19H2,1-3H3,(H,27,32)(H,29,31)/b28-20-
InChIKey
JGTIVQGUKNVHLB-RRAHZORUSA-N
Compound name
N-[(Z)-[4-anilino-3-[(dibutylamino)methyl]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.27908 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.28636 212.2
[M+Na]+ 460.26830 210.5
[M-H]- 436.27180 217.9
[M+NH4]+ 455.31290 219.0
[M+K]+ 476.24224 208.2
[M+H-H2O]+ 420.27634 200.0
[M+HCOO]- 482.27728 234.5
[M+CH3COO]- 496.29293 246.3
[M+Na-2H]- 458.25375 211.7
[M]+ 437.27853 213.8
[M]- 437.27963 213.8
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.