CID 160723

84176-65-8

Structural Information

Molecular Formula
C12H18N6
SMILES
CC(C)C1=NC2=C(N=C(N=C2N=C1C(C)C)N)N
InChI
InChI=1S/C12H18N6/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11/h5-6H,1-4H3,(H4,13,14,16,17,18)
InChIKey
LIVXWXAMTVJGCO-UHFFFAOYSA-N
Compound name
6,7-di(propan-2-yl)pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

122
Patents

246.1593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16658 158.3
[M+Na]+ 269.14852 170.3
[M+NH4]+ 264.19312 164.3
[M+K]+ 285.12246 165.7
[M-H]- 245.15202 159.3
[M+Na-2H]- 267.13397 162.6
[M]+ 246.15875 160.0
[M]- 246.15985 160.0
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