CID 9574620

N1-{[1-(2,4,6-trimethylbenzyl)-1h-indol-3-yl)methylene]-2-pyridinecarboxamidrazone.

Structural Information

Molecular Formula
C25H25N5
SMILES
CC1=CC(=C(C(=C1)C)CN2C=C(C3=CC=CC=C32)/C=N\N=C(\C4=CC=CC=N4)/N)C
InChI
InChI=1S/C25H25N5/c1-17-12-18(2)22(19(3)13-17)16-30-15-20(21-8-4-5-10-24(21)30)14-28-29-25(26)23-9-6-7-11-27-23/h4-15H,16H2,1-3H3,(H2,26,29)/b28-14-
InChIKey
RYGFXKSIAWRSMN-MUXKCCDJSA-N
Compound name
N'-[(Z)-[1-[(2,4,6-trimethylphenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.211 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.21828 200.2
[M+Na]+ 418.20022 208.6
[M-H]- 394.20372 211.1
[M+NH4]+ 413.24482 211.7
[M+K]+ 434.17416 201.1
[M+H-H2O]+ 378.20826 188.3
[M+HCOO]- 440.20920 225.9
[M+CH3COO]- 454.22485 210.3
[M+Na-2H]- 416.18567 202.7
[M]+ 395.21045 202.8
[M]- 395.21155 202.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.