CID 5420

Iso-ompa

Structural Information

Molecular Formula
C12H32N4O3P2
SMILES
CC(C)NP(=O)(NC(C)C)OP(=O)(NC(C)C)NC(C)C
InChI
InChI=1S/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)
InChIKey
IOIMDJXKIMCMIG-UHFFFAOYSA-N
Compound name
N-[bis(propan-2-ylamino)phosphoryloxy-(propan-2-ylamino)phosphoryl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

128
References

236
Patents

342.19498 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20226 189.2
[M+Na]+ 365.18420 207.4
[M-H]- 341.18770 202.0
[M+NH4]+ 360.22880 199.8
[M+K]+ 381.15814 191.3
[M+H-H2O]+ 325.19224 178.2
[M+HCOO]- 387.19318 200.0
[M+CH3COO]- 401.20883 228.0
[M+Na-2H]- 363.16965 185.4
[M]+ 342.19443 185.4
[M]- 342.19553 185.4
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