CID 9567632

Rp-datp.alpha.b

Structural Information

Molecular Formula
C10H15BN5O11P3
SMILES
[B-][P@](=O)(OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H15BN5O11P3/c11-28(18,26-30(22,23)27-29(19,20)21)24-2-6-5(17)1-7(25-6)16-4-15-8-9(12)13-3-14-10(8)16/h3-7,17H,1-2H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/q-1/t5-,6+,7+,28-/m0/s1
InChIKey
GHCVJPCBQUKBSZ-OOZDDYOPSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

485.0074 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.01468 194.8
[M+Na]+ 507.99662 200.7
[M-H]- 484.00012 193.1
[M+NH4]+ 503.04122 196.4
[M+K]+ 523.97056 199.6
[M+H-H2O]+ 468.00466 183.4
[M+HCOO]- 530.00560 199.2
[M+CH3COO]- 544.02125 224.4
[M+Na-2H]- 505.98207 193.8
[M]+ 485.00685 188.1
[M]- 485.00795 188.1
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.