CID 407162

N4-[4-(diethylamino)butyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C12H23N5
SMILES
CCN(CC)CCCCNC1=NC(=NC=C1)N
InChI
InChI=1S/C12H23N5/c1-3-17(4-2)10-6-5-8-14-11-7-9-15-12(13)16-11/h7,9H,3-6,8,10H2,1-2H3,(H3,13,14,15,16)
InChIKey
SQKDBRWLBUKFKJ-UHFFFAOYSA-N
Compound name
4-N-[4-(diethylamino)butyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

237.19534 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.20262 157.8
[M+Na]+ 260.18456 162.5
[M-H]- 236.18806 159.1
[M+NH4]+ 255.22916 172.5
[M+K]+ 276.15850 160.5
[M+H-H2O]+ 220.19260 148.5
[M+HCOO]- 282.19354 181.8
[M+CH3COO]- 296.20919 204.5
[M+Na-2H]- 258.17001 163.3
[M]+ 237.19479 158.3
[M]- 237.19589 158.3
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

patents stripe