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

literature stripe

Patent stripe

patents stripe