CID 51562

72239-51-1

Structural Information

Molecular Formula
C18H22N6O3
SMILES
C1CN1C2=NC(=NC(=N2)NC3(COC(OC3)C4=CC=CC=C4)CO)N5CC5
InChI
InChI=1S/C18H22N6O3/c25-10-18(11-26-14(27-12-18)13-4-2-1-3-5-13)22-15-19-16(23-6-7-23)21-17(20-15)24-8-9-24/h1-5,14,25H,6-12H2,(H,19,20,21,22)
InChIKey
VPZWBHONOYDQMO-UHFFFAOYSA-N
Compound name
[5-[[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]amino]-2-phenyl-1,3-dioxan-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.17532 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18260 212.8
[M+Na]+ 393.16454 219.1
[M-H]- 369.16804 220.0
[M+NH4]+ 388.20914 206.9
[M+K]+ 409.13848 216.6
[M+H-H2O]+ 353.17258 202.1
[M+HCOO]- 415.17352 223.0
[M+CH3COO]- 429.18917 216.7
[M+Na-2H]- 391.14999 213.5
[M]+ 370.17477 214.0
[M]- 370.17587 214.0
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.