CID 9588837

Pyridinium, 3-(aminocarbonyl)-1-(((4-(dimethylamino)phenyl)methylene)amino)-2-methyl-, perchlorate

Structural Information

Molecular Formula
C16H19N4O
SMILES
CC1=C(C=CC=[N+]1/N=C/C2=CC=C(C=C2)N(C)C)C(=O)N
InChI
InChI=1S/C16H18N4O/c1-12-15(16(17)21)5-4-10-20(12)18-11-13-6-8-14(9-7-13)19(2)3/h4-11H,1-3H3,(H-,17,21)/p+1/b18-11+
InChIKey
KAAMSJAQMWVHNS-WOJGMQOQSA-O
Compound name
1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-methylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15588 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16316 167.8
[M+Na]+ 306.14510 174.3
[M-H]- 282.14860 176.0
[M+NH4]+ 301.18970 182.2
[M+K]+ 322.11904 166.0
[M+H-H2O]+ 266.15314 160.9
[M+HCOO]- 328.15408 193.8
[M+CH3COO]- 342.16973 207.6
[M+Na-2H]- 304.13055 173.8
[M]+ 283.15533 167.2
[M]- 283.15643 167.2
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.