CID 484325

Biotinyl-crf (human, rat)

Structural Information

Molecular Formula
C14H17N4O
SMILES
CC1=CC(=NC(=[N+]1C)N)NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C14H16N4O/c1-9-8-13(17-14(15)18(9)3)16-12-6-4-11(5-7-12)10(2)19/h4-8H,1-3H3,(H2,15,16,17,19)/p+1
InChIKey
HXXWJJSAVIDUCZ-UHFFFAOYSA-O
Compound name
1-[4-[(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)amino]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

257.14023 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14751 160.8
[M+Na]+ 280.12945 169.2
[M-H]- 256.13295 165.5
[M+NH4]+ 275.17405 174.3
[M+K]+ 296.10339 159.3
[M+H-H2O]+ 240.13749 154.5
[M+HCOO]- 302.13843 183.0
[M+CH3COO]- 316.15408 196.3
[M+Na-2H]- 278.11490 167.2
[M]+ 257.13968 158.9
[M]- 257.14078 158.9
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.